SCHEMBL12325629

SCHEMBL12325629

COC(=O)c1sc2cc(CN)ccc2c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ MAPK1 P28482 3/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.52
▸ PRNP P04156 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ NCOA2 Q15596 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ MCL1 Q07820 2/20 0.49
▸ BCL2L1 Q07817 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 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
SCHEMBL2431312 0.86 MAPT (0.52) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL12325628 0.86 MAPT (0.52) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL5023563 0.83 MCL1 (0.70) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL12501358 0.82 MAPK1 (0.56) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL14614991 0.81 MAPT (0.49) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL8412494 0.80 NPSR1 (0.74) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL693146 0.79 BCKDK (0.68) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL8010924 0.76 MCL1 (0.52) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL15471997 0.76 BCL2L1 (0.55) MAPTKDM4ELMNAGAAALDH1A1
SCHEMBL4386528 0.75 LMNA (0.69) MAPTKDM4ELMNAGAAALDH1A1

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-2011109679-A2 INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-09-09 — — WO disclosed
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