SCHEMBL6619830

SCHEMBL6619830

CCNC(=O)n1nc(-c2cc(NC(=O)c3cccnc3)ccc2O)cc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRACR2A Q9BSW2 2/20 0.46
▸ RAB9A P51151 12/20 0.43
▸ NPC1 O15118 10/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ GFER P55789 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TP53 P04637 2/20 0.41

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
SCHEMBL6621069 0.89 CRACR2A (0.44) CRACR2ARAB9ANPC1SMN1; SMN2EPHX2
SCHEMBL6616214 0.89 NAMPT (0.46) CRACR2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6617207 0.88 CRACR2A (0.46) CRACR2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6618968 0.88 CRACR2A (0.42) CRACR2ARAB9ANPC1SMN1; SMN2
SCHEMBL6615008 0.86 SMN1; SMN2 (0.47) CRACR2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6615742 0.86 CRACR2A (0.44) CRACR2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6603258 0.83 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL6616766 0.82 ADCY1 (0.41) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL6617846 0.82 ROCK2 (0.40) CRACR2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6616663 0.82 RAB9A (0.39) RAB9ANPC1SMN1; SMN2MAPTMEN1

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
Send feedback