SCHEMBL6619112

SCHEMBL6619112

C=CCNC(=O)n1nc(-c2cc(NC(=O)c3cccnc3Cl)ccc2O)cc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ IKBKB O14920 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ ACKR3 P25106 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CRACR2A Q9BSW2 1/20 0.36

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
SCHEMBL6617922 0.93 MAPT (0.45) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6603258 0.90 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6616089 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6615419 0.86 MAPT (0.40) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6613151 0.85 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6614830 0.85 MAPT (0.41) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6618410 0.85 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6618827 0.84 ACKR3 (0.40) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6621069 0.84 CRACR2A (0.44) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6617216 0.83 HPGD (0.43) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E

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 disclosed
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 disclosed
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