SCHEMBL2852238

SCHEMBL2852238

COc1ccc(-n2ncc(OC(=O)NCc3cccnc3)c2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DHODH Q02127 1/20 0.51
THRB P10828 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NAMPT P43490 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
EPHX1 P07099 1/20 0.47
GSK3B P49841 1/20 0.46

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
SCHEMBL2859509 0.90 KMT2A (0.54) HTTSMN1; SMN2KMT2ANAMPTEPHX1
SCHEMBL2860234 0.90 HPGD (0.54) GAASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL2856499 0.89 ALDH1A1 (0.53) GAASMN1; SMN2KMT2ANPSR1KDM4E
SCHEMBL2854531 0.84 LMNA (0.52) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL2854802 0.84 LMNA (0.48) GAATHRBMEN1KMT2ATP53
SCHEMBL2853389 0.82 NPC1 (0.62) GAASMN1; SMN2THRBKMT2ANPC1
SCHEMBL2861261 0.81 HPGD (0.64) GAASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2857338 0.80 RAB9A (0.47) GAASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL2853335 0.80 TP53 (0.48) GAASMN1; SMN2THRBNPC1RAB9A
SCHEMBL2856862 0.79 NPC1 (0.53) GAASMN1; SMN2MEN1KMT2ANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed