SCHEMBL2117282

SCHEMBL2117282

c1ccc(-c2cnc(-c3ccccc3)nc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 1.00
RAB9A P51151 5/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
NFKB1 P19838 2/20 1.00
NFKB2 Q00653 2/20 1.00
RELA Q04206 2/20 1.00
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HPGDS O60760 11/20 0.55
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13527439 0.97 NPC1 (0.95) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6679319 0.97 NPC1 (0.95) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6682733 0.97 NPC1 (0.95) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL903606 0.97 NPC1 (0.95) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL26503498 0.90 NPC1 (0.81) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14964814 0.89 SMN1; SMN2 (0.78) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL11933090 0.87 NPC1 (0.75) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL14040329 0.87 NPC1 (0.75) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL3781325 0.87 NPC1 (1.00) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL13910154 0.87 NPC1 (0.75) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4581071-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2025-07-09 EP claimed
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 WO claimed
US-5100578-A Enantiomorphs, Liquid Crystals CHISSO CORPORATION (JP) 1992-03-31 US claimed
US-4900473-A Optically active alkanoyloxy 2,5-diphenyl pyrimidine and liquid crystal compositions CHISSO CORPORATION (JP) 1990-02-13 US claimed
JP-1106869-A None JP disclosed
JP-63170367-A None JP disclosed
JP-1106870-A None JP disclosed
EP-4581071-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2025-07-09 EP disclosed
WO-2024235507-A1 METHOD FOR PRODUCING A POLYMER, IN PARTICULAR FOR A MEMBRANE, POLYMER, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-11-21 WO disclosed
WO-2024160834-A1 METHOD FOR PRODUCING A POLYMER, IN PARTICULAR FOR A MEMBRANE, POLYMER, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-08-08 WO disclosed
WO-2024046712-A1 METHOD FOR PRODUCING A MATERIAL FOR A MEMBRANE, MATERIAL, MEMBRANE AND USE OF A MEMBRANE Forschungszentrum Jülich GmbH (DE) 2024-03-07 WO disclosed
US-11034797-B2 Polyimide precursor composition, use thereof and polyimide made therefrom ETERNAL MATERIALS CO., LTD. (TW) 2021-06-15 US disclosed
US-4882083-A CONTAINING OPTICALLY ACTIVE COMPOUND; HIGH SPEED RESPONSE DISPLAY ELEMENT CHISSO CORPORATION (JP) 1989-11-21 US disclosed
US-4882086-A HIGH SPEED LIGHT SWITCHES CHISSO CORPORATION (JP) 1989-11-21 US disclosed
EP-0328330-A2 Ferroelectric liquid crystal composition CHISSO CORPORATION (JP) 1989-08-16 EP disclosed
EP-0313284-A2 2,5-Diphenyl pyrimidine compounds and liquid crystal compositions containing them Chisso Corporation (JP) 1989-04-26 EP disclosed
JP-H01106869-A 2,5-DIPHENYLPYRIMIDINE COMPOUND, LIQUID CRYSTAL COMPOSITION AND ELECTRO-OPTICAL ELEMENT CHISSO CORP 1989-04-24 JP disclosed
JP-H01106870-A 2, 5-DIPHENYLPYRIMIDINE COMPOUND, LIQUID CRYSTAL COMPOSITION AND ELECTRO-OPTICAL ELEMENT CHISSO CORP 1989-04-24 JP disclosed
EP-0293763-A2 Smectic liquid crystal mixture CHISSO CORPORATION (JP) 1988-12-07 EP disclosed
JP-S63170367-A 2-PHENYL-5-PHENYLPYRIMIDINE DERIVATIVE TEIKOKU CHEM IND CORP LTD 1988-07-14 JP disclosed