SCHEMBL11665013

SCHEMBL11665013

C=CCNC(CN)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
TAAR1 Q96RJ0 4/20 0.43
HTR2A P28223 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ROCK1 Q13464 3/20 0.39
RPS6KA5 O75582 2/20 0.39
AKT1 P31749 2/20 0.39
GSK3B P49841 2/20 0.39
NEK4 P51957 2/20 0.39
PRKCD Q05655 2/20 0.39
PRKG2 Q13237 2/20 0.39
PRKG1 Q13976 2/20 0.39
PKN2 Q16513 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39

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
SCHEMBL24325919 0.83 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1KDM4EMAPTALOX15
SCHEMBL3234142 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4EMAPTALOX15
SCHEMBL11665011 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4EMAPTALOX15
SCHEMBL6389932 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4EMAPTALOX15
Hydrochloric Acid SCHEMBL2322263 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4EMAPTALOX15
SCHEMBL20843407 0.79 SMN1; SMN2 (0.46) SMN1; SMN2HTR2AALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL18553838 0.77 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4EMAPTALOX15
SCHEMBL9593230 0.77 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1KDM4EMAPTALOX15
SCHEMBL10582023 0.76 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4EMAPTALOX15
SCHEMBL6724867 0.76 MTOR (0.58) SMN1; SMN2ALDH1A1KDM4EMAPTALOX15

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-4088771-A 1-Lower alkyl-4,5-dihydro-5-phenyl-2-lower alkoxy carbonylaminoimidazoles and substituted phenyl derivatives thereof SYNTEX (U.S.A.) INC. (US) 1978-05-09 US disclosed