SCHEMBL6622810

SCHEMBL6622810

CCc1ccc(C(=O)Nc2ccc(-c3cc(C4CC4)n(C(=O)NCCc4ccccc4)n3)c(O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 4/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NAMPT P43490 4/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ IL6 P05231 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37

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
SCHEMBL6621561 0.92 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1LMNAMAPTTP53
SCHEMBL6614537 0.92 ACKR3 (0.41) SMN1; SMN2ALDH1A1LMNAMAPTTP53
SCHEMBL6617319 0.91 RAB9A (0.40) SMN1; SMN2MAPTTP53NAMPTMEN1
SCHEMBL6618133 0.89 RAB9A (0.41) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL6650968 0.87 RAB9A (0.42) LMNAMAPTNAMPTMEN1KMT2A
SCHEMBL6618493 0.86 NPC1 (0.52) SMN1; SMN2ALDH1A1LMNAMAPTNAMPT
SCHEMBL6617061 0.85 TAOK1 (0.42) LMNAMAPTTP53NAMPTPOLB
SCHEMBL6616244 0.85 NAMPT (0.41) SMN1; SMN2ALDH1A1LMNAMAPTTP53
SCHEMBL6615863 0.85 RAB9A (0.40) SMN1; SMN2LMNAMAPTTP53MEN1
SCHEMBL6618475 0.85 RAB9A (0.42) SMN1; SMN2ALDH1A1MAPTTP53NAMPT

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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