SCHEMBL10429331

SCHEMBL10429331

CCc1cccc(-c2nsc3c(=O)[nH]nnc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
FGFR1 P11362 1/20 0.39
IDO1 P14902 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
BCL2 P10415 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
MAPK14 Q16539 1/20 0.34
MAP2K4 P45985 1/20 0.33
DAO P14920 1/20 0.33
PTGS2 P35354 1/20 0.33
TGFBR1 P36897 1/20 0.32
KDR P35968 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL10429321 0.85 ADORA3 (0.39) NOTUMSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL10429313 0.84 NOTUM (0.38) NOTUMNISCHSMN1; SMN2ALDH1A1LMNA
SCHEMBL10429361 0.82 MAOB (0.36) IDO1SMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL2121780 0.81 NPSR1 (0.40) IDO1SMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL7166444 0.79 NOTUM (0.42) NOTUMIDO1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10429323 0.79 MAOB (0.40) NOTUMIDO1
SCHEMBL10429340 0.77 NOTUM (0.39) NOTUMSMN1; SMN2ALDH1A1HPGD
SCHEMBL10429364 0.76 NOTUM (0.33) NOTUMMEN1ALDH1A1HPGDKMT2A
SCHEMBL10429322 0.73 ALDH1A1 (0.37) NOTUMSMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL10429350 0.73 KDR (0.36) ALDH1A1HPGDKDR

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
US-4920119-A XANTHINE OXIDASE INHIBITORS; CONTROL OR PREVENTION OF GOUT OR ISCHEMIA HOFFMANN-LA ROCHE INC. (US) 1990-04-24 US disclosed