SCHEMBL6621304

SCHEMBL6621304

C=CCNC(=O)n1nc(-c2cc(NC(=O)c3ccncc3)ccc2O)cc1C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 5/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4C Q9H3R0 2/20 0.38
▸ KDM6B O15054 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ KDM4D Q6B0I6 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ KDM2A Q9Y2K7 1/20 0.38
▸ KDM3A Q9Y4C1 1/20 0.38
▸ GAA P10253 3/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL6621026 0.95 CRACR2A (0.46) CRACR2ASMN1; SMN2GAACA1CA9
SCHEMBL6615827 0.88 RAB9A (0.38) CRACR2ASMN1; SMN2KDM4CKDM6BKDM5A
SCHEMBL6617307 0.87 CRACR2A (0.44) CRACR2AKDM4CKDM6BKDM5AKDM4D
SCHEMBL6620646 0.87 KDM5A (0.39) KDM4CKDM5AKDM4DKDM5BKDM3A
SCHEMBL6621069 0.87 CRACR2A (0.44) CRACR2ASMN1; SMN2GAAMAPK1ALDH1A1
SCHEMBL6617202 0.86 ALDH1A1 (0.37) SMN1; SMN2MAPK1LMNAALDH1A1MAPT
SCHEMBL6604168 0.86 CRACR2A (0.42) CRACR2AKDM4CKDM6BKDM5AKDM4D
SCHEMBL6614792 0.86 RAB9A (0.43) SMN1; SMN2GAALMNATDP1ALDH1A1
SCHEMBL6617382 0.85 RAF1 (0.42) LMNA
SCHEMBL6616604 0.85 KMT2A (0.34) SMN1; SMN2LMNAALDH1A1MAPTKDM4E

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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