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SCHEMBL7939502

SCHEMBL7939502

CC(C)(C)[Si](C)(C)OCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2nc(CO)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.33
▸ TACR1 P25103 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TGFBR1 P36897 1/20 0.30

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
SCHEMBL7713293 0.81 ALDH1A1 (0.40) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10676751 0.76 NOTUM (0.36) KDM4EALDH1A1TGFBR1
SCHEMBL7939506 0.76 SIRT2 (0.40) BACE1
SCHEMBL10917397 0.73 NOTUM (0.39) —
SCHEMBL17651946 0.72 MAPK1 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL6170837 0.71 BACE1 (0.32) BACE1TACR1
SCHEMBL6971146 0.71 KDM4E (0.37) KDM4EALDH1A1MAPTSMN1; SMN2TGFBR1
SCHEMBL1097103 0.70 SIRT2 (0.42) BACE1TACR1MAPTRAB9ASMN1; SMN2
SCHEMBL8022922 0.70 NOTUM (0.36) —
SCHEMBL6967504 0.70 TGFBR1 (0.32) ALDH1A1MAPTTGFBR1

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-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 — — WO disclosed