SCHEMBL7930297

SCHEMBL7930297

COc1ccc(C)cc1NC(=O)CSc1nnc(C(F)(F)F)n1C

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ TSHR P16473 3/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ NPC1 O15118 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ HTT P42858 3/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 2/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ MAPK1 P28482 2/20 0.54
▸ ATM Q13315 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL12216357 0.75 MAPK1 (0.77) MAPTSMN1; SMN2TSHRCYP3A4CYP2C19
SCHEMBL4206188 0.74 MAPT (0.73) MAPTSMN1; SMN2TSHRGAAHTT
SCHEMBL4209124 0.73 MAPT (0.67) MAPTSMN1; SMN2TSHRCYP1A2CYP3A4
SCHEMBL15931634 0.71 SMN1; SMN2 (0.61) MAPTSMN1; SMN2TSHRGAAHTT
SCHEMBL15986500 0.71 MAPT (1.00) MAPTSMN1; SMN2TSHRCYP1A2CYP3A4
SCHEMBL4205558 0.71 ALDH1A1 (0.72) MAPTSMN1; SMN2TSHRGAAHTT
SCHEMBL24716653 0.71 TSHR (0.64) MAPTSMN1; SMN2TSHRGAAHTT
SCHEMBL30211098 0.71 MAPT (0.80) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL4201282 0.69 KMT2A (0.72) MAPTSMN1; SMN2TSHRGAAHTT
SCHEMBL13167282 0.69 TP53 (1.00) MAPTSMN1; SMN2TSHRNPC1ALDH1A1

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-6245817-B1 NEUROPEPTIDE Y BAYER CORPORATION 2001-06-12 — — US claimed
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