SCHEMBL8385647

SCHEMBL8385647

COc1ccc(C(=O)CN2C=CSC2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPC1 O15118 5/20 0.47
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TP53 P04637 1/20 0.42

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
Bromide SCHEMBL3854806 0.99 RAB9A (0.52) RAB9ASMN1; SMN2LMNAHTTNPC1
SCHEMBL8390047 0.80 ALDH1A1 (0.52) RAB9ALMNAHTTNPC1MAPT
Bromide SCHEMBL3853720 0.79 ALDH1A1 (0.55) RAB9ALMNAHTTNPC1MAPT
SCHEMBL3963629 0.79 CDYL2 (0.48) RAB9ASMN1; SMN2LMNANPC1MAPT
Bromide SCHEMBL3850385 0.78 RAB9A (0.53) RAB9ASMN1; SMN2LMNAHTTNPC1
Bromide SCHEMBL3848238 0.78 NPC1 (0.49) RAB9ASMN1; SMN2LMNANPC1MAPT
SCHEMBL28150329 0.75 APLNR (0.50) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL10749731 0.74 LMNA (0.62) RAB9ASMN1; SMN2LMNAHTTNPC1
SCHEMBL2978070 0.73 SMN1; SMN2 (0.65) RAB9ASMN1; SMN2LMNAHTTNPC1
SCHEMBL30376093 0.72 SMN1; SMN2 (0.63) RAB9ASMN1; SMN2LMNAHTTNPC1

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-6007865-A FOR INHIBITING AND REVERSING NONENZYMATIC CROSS-LINKING (PROTEIN AGING), TREATING KIDNEY DAMAGE AND TREATING COMPLICATIONS OF DIABETES, PREVENTING FOOD SPOILAGE ALTEON INC. 1999-12-28 — — US claimed
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