SCHEMBL6616458

SCHEMBL6616458

CCC(C)NC(=O)n1nc(-c2ccc(NC(=O)c3cccnc3Cl)cc2O)cc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 2/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ MAT2A P31153 1/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ACKR3 P25106 1/20 0.38
▸ LMNA P02545 1/20 0.37

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
SCHEMBL6619441 0.90 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL6619499 0.88 CHRM5 (0.40) MAPTSMN1; SMN2RAB9ALMNA
SCHEMBL6618410 0.87 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL6615212 0.86 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL6616658 0.85 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL6603258 0.84 ALDH1A1 (0.44) MAPTSMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL6603569 0.84 TYK2 (0.40) SMN1; SMN2RAB9AACKR3
SCHEMBL6616089 0.82 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL6616391 0.82 TYK2 (0.40) SMN1; SMN2RAB9AACKR3
SCHEMBL6615707 0.82 KMT2A (0.42) MAPTSMN1; SMN2ALDH1A1RAB9AMEN1

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
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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