SCHEMBL9271582

SCHEMBL9271582

COc1ccc(NC(=O)NC2CCC(c3ccc(Cl)cc3)(c3ccc(Cl)cc3)CC2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.58
▸ SIGMAR1 Q99720 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.54
▸ POLB P06746 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ TAS1R3 Q7RTX0 1/20 0.53
▸ TAS1R1 Q7RTX1 1/20 0.53
▸ MAPK1 P28482 1/20 0.51
▸ ATM Q13315 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ CCR1 P32246 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL9273198 0.83 NPC1 (0.65) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL21230467 0.79 TAS1R3 (0.71) MAPTSIGMAR1ALDH1A1POLBKDM4E
SCHEMBL9275859 0.77 RAB9A (0.62) MAPTALDH1A1POLBLMNAKMT2A
SCHEMBL20671206 0.75 HTT (0.64) MAPTSIGMAR1ALDH1A1POLBKDM4E
SCHEMBL9274428 0.75 KMT2A (0.62) ALDH1A1KDM4EKMT2AMEN1TAS1R3
SCHEMBL9270646 0.74 RAB9A (0.67) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL9270866 0.73 NPC1 (0.62) ALDH1A1POLBLMNAKMT2AMEN1
SCHEMBL10537786 0.72 MAPT (0.67) MAPTSIGMAR1ALDH1A1POLBKDM4E
SCHEMBL9271464 0.71 NPC1 (0.59) ALDH1A1KMT2AMEN1
SCHEMBL9273027 0.70 EPHX2 (0.51) ALDH1A1TSHR

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-5420164-A Enzyme inhibitors YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-05-30 — — US disclosed
EP-0507291-A1 Cyclohexylurea compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-10-07 — — EP disclosed
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