SCHEMBL8032085

SCHEMBL8032085

COc1ccc(CSc2nc(-c3ccccn3)nnc2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.52
AHR P35869 1/20 0.45
MAPT P10636 1/20 0.45
OPRK1 P41145 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
METAP1 P53582 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
PPP1CA P62136 1/20 0.41
HPGD P15428 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL8042356 0.89 HIF1A (0.50) HIF1AMAPTOPRK1SMN1; SMN2MEN1
SCHEMBL8043531 0.89 METAP1 (0.49) HIF1AMAPTOPRK1SMN1; SMN2MEN1
SCHEMBL8041617 0.87 MAPT (0.47) HIF1AMAPTOPRK1SMN1; SMN2MEN1
SCHEMBL8032107 0.83 HIF1A (0.45) HIF1ASMN1; SMN2HTT
SCHEMBL8045572 0.81 HIF1A (0.80) HIF1ASMN1; SMN2HTT
SCHEMBL8041606 0.81 HIF1A (0.51) HIF1AMAPTSMN1; SMN2METAP1HTT
SCHEMBL8043507 0.81 NPC1 (0.43) HIF1AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8045505 0.79 HIF1A (0.45) HIF1ASMN1; SMN2METAP1HTT
SCHEMBL8049571 0.79 OPRK1 (0.49) HIF1AMAPTOPRK1SMN1; SMN2MEN1
SCHEMBL8041620 0.79 HIF1A (0.48) HIF1ASMN1; SMN2METAP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6159974-A LDL receptor gene expression promoters SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-12-12 US claimed
US-6159974-A LDL receptor gene expression promoters SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-12-12 US disclosed