SCHEMBL9506177

SCHEMBL9506177

C=CCCCCCCCCCOc1ccc(-c2cnc(SCCCCCCCCCCC)nc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
HPGD P15428 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.42
RARB P10826 3/20 0.42
PTGES O14684 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 3/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL9506160 0.90 ALDH1A1 (0.50) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL9506292 0.90 ALDH1A1 (0.50) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL9507613 0.90 ALDH1A1 (0.50) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL9506138 0.90 ALDH1A1 (0.50) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL9506149 0.90 ALDH1A1 (0.50) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL9506166 0.90 ALDH1A1 (0.50) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL9506321 0.90 ALDH1A1 (0.50) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL9510040 0.90 ALDH1A1 (0.50) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL9507596 0.90 ALDH1A1 (0.50) NPC1RAB9AHPGDSMN1; SMN2MAPT
SCHEMBL9508460 0.90 ALDH1A1 (0.50) NPC1RAB9AHPGDSMN1; SMN2MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295370-B1 LIQUID-CRYSTALLINE 5-PHENYL PYRIMIDINE DERIVATIVES WITH AN SC OR SC (ASTERISK) PHASE, AND METHOD FOR PREPARING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-11 EP claimed
EP-0295370-A1 Liquid-crystalline 5-phenyl pyrimidine derivatives with an Sc or Sc (asterisk) phase, and method for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1988-12-21 EP claimed
EP-0295370-B1 LIQUID-CRYSTALLINE 5-PHENYL PYRIMIDINE DERIVATIVES WITH AN SC OR SC (ASTERISK) PHASE, AND METHOD FOR PREPARING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-11 EP disclosed
US-4906752-A Liquid-crystal 5-phenylpyrimidine derivatives having sc or sc* phases and a process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-06 US disclosed