SCHEMBL10425902

SCHEMBL10425902

C=Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
LMNA P02545 2/20 0.66
NPC1 O15118 1/20 0.66
ROCK2 O75116 1/20 0.59
RPS6KA5 O75582 1/20 0.59
MAP4K4 O95819 1/20 0.59
CDK1 P06493 1/20 0.59
CSF1R P07333 1/20 0.59
PRKACA P17612 1/20 0.59
FLT1 P17948 1/20 0.59
RPS6KB1 P23443 1/20 0.59
CDK2 P24941 1/20 0.59
MAPK1 P28482 1/20 0.59
AKT1 P31749 1/20 0.59
FLT4 P35916 1/20 0.59
KDR P35968 1/20 0.59
FLT3 P36888 1/20 0.59
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
RPS6KA3 P51812 1/20 0.59

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
SCHEMBL10425904 1.00 ALDH1A1 (0.66) ALDH1A1LMNANPC1ROCK2RPS6KA5
SCHEMBL2164884 0.86 ALDH1A1 (0.68) ALDH1A1LMNANPC1ROCK2RPS6KA5
SCHEMBL6170945 0.86 ALDH1A1 (0.68) ALDH1A1LMNANPC1ROCK2RPS6KA5
SCHEMBL2164215 0.86 ALDH1A1 (0.68) ALDH1A1LMNANPC1ROCK2RPS6KA5
SCHEMBL5968858 0.84 ALDH1A1 (0.77) ALDH1A1LMNANPC1ROCK2RPS6KA5
SCHEMBL1101522 0.84 ALDH1A1 (0.77) ALDH1A1LMNANPC1ROCK2RPS6KA5
SCHEMBL751213 0.84 ALDH1A1 (0.77) ALDH1A1LMNANPC1ROCK2RPS6KA5
SCHEMBL96875 0.83 ALDH1A1 (0.71) ALDH1A1LMNANPC1ROCK2RPS6KA5
SCHEMBL2919150 0.81 ALDH1A1 (0.73) ALDH1A1LMNANPC1ROCK2RPS6KA5
SCHEMBL3755011 0.81 ALDH1A1 (0.73) ALDH1A1LMNANPC1ROCK2RPS6KA5

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-4909935-A Chromatographic arylcarboxamide polysiloxanes BRIGHAM YOUNG UNIVERSITY (US) 1990-03-20 US disclosed