SCHEMBL6616244

SCHEMBL6616244

CCc1ccc(C(=O)Nc2ccc(-c3cc(C4CC4)n(C(=O)NCc4cccc(C)c4)n3)c(O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.41
▸ MAPT P10636 6/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ DDT P30046 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ ACKR3 P25106 3/20 0.38
▸ NR1H4 Q96RI1 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ LMNA P02545 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
SCHEMBL6614537 0.92 ACKR3 (0.41) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL6623315 0.91 KCNK3 (0.43) NAMPTMAPTRAB9AKDM4EALDH1A1
SCHEMBL6673259 0.91 NAMPT (0.41) NAMPTMAPTRAB9AKDM4EALDH1A1
SCHEMBL6615756 0.90 NAMPT (0.42) NAMPTRAB9ADDTNPC1NR1H4
SCHEMBL6618316 0.88 MAPT (0.42) NAMPTMAPTRAB9AALDH1A1TP53
SCHEMBL6618133 0.87 RAB9A (0.41) MAPTRAB9AKDM4EMEN1KMT2A
SCHEMBL6617061 0.87 TAOK1 (0.42) NAMPTMAPTRAB9AKDM4EROCK2
SCHEMBL6616574 0.87 NR1H4 (0.42) NAMPTMAPTRAB9AKDM4EALDH1A1
SCHEMBL6618762 0.87 MAPT (0.49) MAPTRAB9AKDM4EALDH1A1MEN1
SCHEMBL6616846 0.87 NAMPT (0.42) NAMPTMAPTROCK2ACKR3TP53

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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