SCHEMBL15599294

SCHEMBL15599294

Cc1cnc(-c2cnc(C)nc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
CCR1 P32246 2/20 0.36
CCR5 P51681 2/20 0.36
CCR8 P51685 2/20 0.36
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGDS O60760 5/20 0.33
APLNR P35414 1/20 0.33

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
SCHEMBL15599297 0.86 NPC1 (0.54) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL31255 0.83
SCHEMBL17051537 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL15599296 0.80 NPC1 (0.46) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL11996692 0.79 CYP2A6 (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL17055377 0.78 NPC1 (0.67) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL17051544 0.78 NPC1 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12887827 0.78 CCR1 (0.39) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL11976558 0.78 L3MBTL1 (0.44) NPC1RAB9ASMN1; SMN2CCR1CCR5
SCHEMBL15599291 0.78 NPC1 (0.48) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10038143-B2 Polymer compound, material for electronic elements, material for organic electroluminescent elements, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2018-07-31 US disclosed
US-9761804-B2 Oligomeric organic light emitting diode (OLED) materials containing multiple crosslinking functions LOMOX LIMITED (GB) 2017-09-12 US disclosed
US-20150249215-A1 POLYMER COMPOUND, MATERIAL FOR ELECTRONIC ELEMENTS, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-09-03 US disclosed
US-20150249215-A1 POLYMER COMPOUND, MATERIAL FOR ELECTRONIC ELEMENTS, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-09-03 US disclosed
WO-2013167857-A1 OLIGOMERIC ORGANIC LIGHT EMITTING DIODE(OLED)MATERIALS CONTAINING MULTIPLE CROSSLINKING FUNCTIONS LOMOX LIMITED (GB) 2013-11-14 WO disclosed