SCHEMBL6604438

SCHEMBL6604438

O=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c(O)c1)c1cccnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ KDR P35968 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ACKR3 P25106 1/20 0.38
▸ WDR5 P61964 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CXCR3 P49682 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
SCHEMBL6683281 0.91 MAPT (0.40) MAPTALDH1A1KDRRAB9AHTT
SCHEMBL6616412 0.89 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1POLBRAB9A
SCHEMBL6616448 0.89 EPHX2 (0.40) MAPTSMN1; SMN2ALDH1A1KDRRAB9A
SCHEMBL6618924 0.89 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1POLBRAB9A
SCHEMBL6613151 0.86 ALDH1A1 (0.41) MAPTSMN1; SMN2ALDH1A1KDRPOLB
SCHEMBL6605138 0.85 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1POLBRAB9A
SCHEMBL6618827 0.85 ACKR3 (0.40) MAPTSMN1; SMN2ALDH1A1POLBRAB9A
SCHEMBL6615212 0.85 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1POLBRAB9A
SCHEMBL6616658 0.84 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1POLBRAB9A
SCHEMBL6619381 0.83 HRH3 (0.43) WDR5

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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