SCHEMBL6621026

SCHEMBL6621026

C=CCNC(=O)n1nc(-c2ccc(NC(=O)c3ccncc3)cc2O)cc1C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 5/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GAA P10253 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ DEGS1 O15121 1/20 0.36
▸ ACKR3 P25106 1/20 0.35

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
SCHEMBL6621304 0.95 CRACR2A (0.45) CRACR2ASMN1; SMN2GAALMNATDP1
SCHEMBL6603511 0.87 MEN1 (0.39) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL6617757 0.87 CRACR2A (0.45) CRACR2AGAALMNATDP1ALDH1A1
SCHEMBL6617940 0.86 ALDH1A1 (0.38) SMN1; SMN2LMNAALDH1A1MAPTKDM4E
SCHEMBL6603404 0.86 RAB9A (0.40) SMN1; SMN2GAALMNATDP1ALDH1A1
SCHEMBL6615863 0.85 RAB9A (0.40) CRACR2ASMN1; SMN2LMNAMAPTKDM4E
SCHEMBL6608110 0.85 CRACR2A (0.44) CRACR2ALMNATDP1KDM4EACKR3
SCHEMBL6617161 0.85 ALDH1A1 (0.42) CRACR2AALDH1A1KMT2A
SCHEMBL6617672 0.84 CRACR2A (0.47) CRACR2ASMN1; SMN2GAALMNATDP1
SCHEMBL6615089 0.83 POLB (0.42) LMNAMAPTPOLB

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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