SCHEMBL6619106

SCHEMBL6619106

CCC(C)NC(=O)n1nc(-c2cc(NC(=O)c3ccccc3C)ccc2O)cc1C1CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 4/20 0.45
▸ KDM4C Q9H3R0 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CCR8 P51685 1/20 0.37
▸ F2R P25116 2/20 0.37
▸ NAMPT P43490 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ AVPR2 P30518 2/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 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
SCHEMBL6619183 0.87 NAMPT (0.40) KDM4CSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6621197 0.87 KDM5A (0.41) KDM4CMAPTMEN1KMT2ANAMPT
SCHEMBL6619499 0.86 CHRM5 (0.40) SMN1; SMN2MAPTF2RNPC1RAB9A
SCHEMBL6615986 0.85 KMT2A (0.40) MEN1KMT2ANAMPTGAA
SCHEMBL6616688 0.84 AAK1 (0.37) KDM4CSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6661397 0.83 CRACR2A (0.45) CRACR2AKDM4CSMN1; SMN2MAPTMEN1
SCHEMBL6616751 0.83 CRACR2A (0.45) CRACR2ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6618662 0.82 KMT2A (0.38) SMN1; SMN2MAPTMEN1KMT2ANAMPT
SCHEMBL6604492 0.82 CRACR2A (0.39) CRACR2AMEN1KMT2ANAMPTNPC1
SCHEMBL6619198 0.82 CRACR2A (0.44) CRACR2ASMN1; SMN2MAPTMEN1KMT2A

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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