SCHEMBL6604168

SCHEMBL6604168

O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c1)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 4/20 0.42
▸ NAMPT P43490 5/20 0.42
▸ ACKR3 P25106 2/20 0.41
▸ KDM4C Q9H3R0 4/20 0.40
▸ KDM6B O15054 1/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ KDM4D Q6B0I6 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ KDM2A Q9Y2K7 1/20 0.40
▸ KDM3A Q9Y4C1 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KCNK3 O14649 1/20 0.39

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
SCHEMBL6608110 0.95 CRACR2A (0.44) CRACR2ANAMPTACKR3KDM4ELMNA
SCHEMBL6617649 0.92 RAB9A (0.43) CRACR2ANAMPTACKR3KDM4CKDM6B
SCHEMBL6677022 0.91 NAMPT (0.45) CRACR2ANAMPTACKR3KDM4EKCNK3
SCHEMBL6608341 0.89 POLB (0.44) NAMPTACKR3KDM4CKDM6BKDM5A
SCHEMBL6617708 0.89 ACKR3 (0.41) CRACR2ANAMPTACKR3KDM4ELMNA
SCHEMBL6603910 0.89 NAMPT (0.42) CRACR2ANAMPTKDM4CKDM6BKDM5A
SCHEMBL6619769 0.89 LMNA (0.40) ACKR3KDM4CKDM6BKDM5AKDM4D
SCHEMBL6618131 0.87 MAPT (0.45) KDM4ELMNA
SCHEMBL6617307 0.87 CRACR2A (0.44) CRACR2ANAMPTKDM4CKDM6BKDM5A
SCHEMBL6618491 0.86 MEN1 (0.45) —

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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