SCHEMBL6614347

SCHEMBL6614347

C=CCn1nc(-c2cc(NC(C)=O)ccc2O)cc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.43
▸ KDM4D Q6B0I6 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ KDM5B Q9UGL1 1/20 0.43
▸ KDM3A Q9Y4C1 1/20 0.43
▸ CHRNE Q04844 3/20 0.41
▸ KDM4E B2RXH2 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ RAB9A P51151 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ADORA1 P30542 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL6615310 0.96 KDM5A (0.41) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6620548 0.90 ALDH1A1 (0.40) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6618542 0.89 KMT2A (0.37) CHRNEKDM4EMAPTALDH1A1HPGD
SCHEMBL6617432 0.87 KDM5A (0.46) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6629779 0.86 ALDH1A1 (0.41) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6612239 0.86 ALDH1A1 (0.43) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6617913 0.85 KMT2A (0.36) CHRNEKDM4EMAPTALDH1A1HPGD
SCHEMBL6615291 0.84 MAPT (0.46) KDM4EMAPTALDH1A1HPGDRAB9A
SCHEMBL6616676 0.83 KDM5A (0.44) KDM5AKDM4DKDM4CKDM5BKDM3A
SCHEMBL6618205 0.83 KDM4E (0.45) KDM5AKDM4DKDM4CKDM5BKDM3A

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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