SCHEMBL17033758

SCHEMBL17033758

c1cc(-c2ccc3ccccc3c2)cc(-n2c3ccccc3c3ccc4c(cc5c6ccccc6c6ccccc6n54)c32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.38
HSD17B2 P37059 4/20 0.38
OPRD1 P41143 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ATM Q13315 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
SCHEMBL17033426 0.89 ATM (0.41) OPRD1KDM4EATML3MBTL1CYP1A2
SCHEMBL17033637 0.88 HSD17B1 (0.38) HSD17B1HSD17B2OPRD1TUBB4ATUBB
SCHEMBL17033776 0.87 PMM2 (0.37) KDM4EATML3MBTL1CYP19A1CYP11B1
SCHEMBL17033448 0.86 KDM4E (0.35) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL17033814 0.86 KDM4E (0.36) HSD17B1HSD17B2OPRD1TUBB4ATUBB
SCHEMBL24356678 0.85 HSD17B1 (0.44) HSD17B1HSD17B2OPRD1TUBB4ATUBB
SCHEMBL25775278 0.85 HSD17B1 (0.44) HSD17B1HSD17B2OPRD1TUBB4ATUBB
SCHEMBL25775165 0.85 L3MBTL1 (0.46) HSD17B1HSD17B2OPRD1TUBB4ATUBB
SCHEMBL17033516 0.84 KDM4E (0.37) HSD17B1HSD17B2OPRD1TUBB4ATUBB
SCHEMBL17033459 0.84 KDM4E (0.35) KDM4EATML3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed