SCHEMBL9958486

SCHEMBL9958486

OCc1ccc(CNC(Cc2ccccn2)c2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
POLB P06746 1/20 0.45
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MEN1 O00255 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.40
PTPRB P23467 4/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SREBF2 Q12772 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 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
SCHEMBL1745450 0.82 PTPRB (0.44) ROCK2ROCK1MEN1NPC1RAB9A
SCHEMBL1926329 0.69 KCNT1 (0.46) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL18114415 0.68 SMN1; SMN2 (0.47) POLBMAPTSMN1; SMN2KDM4EMAOA
SCHEMBL3915895 0.67 CYP1A2 (0.45) FFAR1POLBMEN1KMT2APTPRB
SCHEMBL1745058 0.66 FFAR1 (0.61) FFAR1
SCHEMBL3316286 0.64 L3MBTL1 (0.55) POLBMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL18157938 0.63 FDPS (0.38) POLBMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1745448 0.63 HDAC3 (0.51) ROCK2MEN1NPC1RAB9AKMT2A
SCHEMBL11346806 0.62 PTPRA (0.50) POLBMEN1NPC1RAB9AKMT2A
Methane SCHEMBL28852240 0.62 CYP1A2 (0.49) POLBNPC1RAB9ALMNAHTT

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-1698624-B1 PHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2012-06-27 EP disclosed