SCHEMBL18622282

SCHEMBL18622282

C=Cc1nc2ccccn2c1C(=S)Nc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.54
RAB9A P51151 7/20 0.54
KMT2A Q03164 5/20 0.54
NPC1 O15118 3/20 0.54
MAPT P10636 5/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 1/20 0.53
GAA P10253 3/20 0.46
MAPK1 P28482 2/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42

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
SCHEMBL14740779 0.79 GAA (0.53) SMN1; SMN2RAB9AKMT2ANPC1MAPT
SCHEMBL14740016 0.78 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AKMT2ANPC1MAPT
SCHEMBL24242362 0.69 NPC1 (0.54) SMN1; SMN2RAB9AKMT2ANPC1MAPT
SCHEMBL14744636 0.67 SMN1; SMN2 (0.67) SMN1; SMN2RAB9AKMT2ANPC1MAPT
SCHEMBL14740343 0.65 GAA (0.51) SMN1; SMN2RAB9AKMT2ANPC1MAPT
SCHEMBL14739998 0.65 GAA (0.51) SMN1; SMN2RAB9AKMT2ANPC1MAPT
SCHEMBL14740230 0.65 GAA (0.51) SMN1; SMN2RAB9AKMT2ANPC1MAPT
SCHEMBL14740345 0.65 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AKMT2ANPC1MAPT
SCHEMBL14740346 0.65 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AKMT2ANPC1MAPT
SCHEMBL22614998 0.63 TUBB4A (0.57) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1

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-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed