SCHEMBL6624191

SCHEMBL6624191

O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 5/20 0.46
▸ NAMPT P43490 2/20 0.43
▸ ROCK2 O75116 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HDAC1 Q13547 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL6614591 0.90 P2RY14 (0.42) CRACR2ANAMPTROCK2KDM4EHDAC1
SCHEMBL6608110 0.87 CRACR2A (0.44) CRACR2ANAMPTKDM4ELMNATDP1
SCHEMBL6651951 0.87 P2RY14 (0.41) CRACR2ANAMPTLMNAHDAC1MAPT
SCHEMBL6618535 0.87 CNR1 (0.41) CRACR2AKDM4ECNR1SMN1; SMN2
SCHEMBL6620569 0.87 CNR1 (0.41) CRACR2AROCK2KDM4ELMNATDP1
SCHEMBL6618083 0.87 NAMPT (0.46) CRACR2ANAMPTROCK2HDAC1MAPT
SCHEMBL6615869 0.87 NAMPT (0.41) CRACR2ANAMPTROCK2HDAC1HTT
SCHEMBL6619833 0.86 TRPV1 (0.43) NAMPT
SCHEMBL6651075 0.86 KMT2A (0.39) NAMPTKDM4ELMNATDP1HTT
SCHEMBL6622866 0.85 KDM4E (0.40) KDM4ELMNATDP1CNR1MAPT

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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