SCHEMBL3762455

SCHEMBL3762455

Cc1cccc(C(=O)c2cc(C(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.43
RAB9A P51151 6/20 0.43
POLB P06746 4/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
IGF2BP2 Q9Y6M1 1/20 0.39
THRB P10828 1/20 0.39
MGAM O43451 1/20 0.38
AMY1A P0DUB6 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
KCNK3 O14649 1/20 0.38
FGFR1 P11362 1/20 0.38

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
SCHEMBL1263980 0.90 NPC1 (0.42) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL1262808 0.87 NPC1 (0.54) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL1264286 0.86 BCL2 (0.37) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL1264001 0.81 NPC1 (0.45) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL1264010 0.81 NPC1 (0.45) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL1263991 0.81 NPC1 (0.40) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL1263224 0.81 ALDH1A1 (0.40) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL1263997 0.78 NPC1 (0.58) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL1263990 0.78 NPC1 (0.42) NPC1RAB9APOLBLMNAALDH1A1
Benzophenone SCHEMBL28090168 0.77 ALOX5 (0.44) NPC1RAB9APOLBLMNAALDH1A1

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
US-7847103-B2 Ultraviolet light absorbing ketones of 2-(2-hydroxyphenyl) benzotriazole CHANG CHIA-HU 2010-12-07 US claimed