SCHEMBL11884841

SCHEMBL11884841

Cc1cccc(C)c1-c1nonc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 8/20 0.46
GSK3B P49841 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ROCK1 Q13464 5/20 0.43
PRKACA P17612 4/20 0.43
RPS6KA5 O75582 2/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 3/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL14364599 0.72 SMN1; SMN2 (0.61) RPS6KB1GSK3BSMN1; SMN2TP53TSHR
SCHEMBL28366110 0.71 RECQL (0.54) RPS6KB1GSK3BSMN1; SMN2TSHRRAB9A
SCHEMBL543895 0.70 LMNA (0.54) RPS6KB1GSK3BSMN1; SMN2TP53TSHR
SCHEMBL17861269 0.69 RAB9A (0.44) RPS6KB1GSK3BSMN1; SMN2TP53TSHR
SCHEMBL29088212 0.69 RECQL (0.52) RPS6KB1GSK3BSMN1; SMN2TSHRRAB9A
SCHEMBL17844127 0.67 NOTUM (0.44) RPS6KB1GSK3BSMN1; SMN2TP53TSHR
SCHEMBL21969746 0.65 NQO1 (0.44) SMN1; SMN2TSHRNPC1RAB9AALDH1A1
SCHEMBL658209 0.65 MEN1 (0.44) RPS6KB1GSK3BSMN1; SMN2TP53NPC1
SCHEMBL4021982 0.65 ACHE (0.57) TSHRALDH1A1NOS3NOS1NOS2
SCHEMBL31686421 0.62 RECQL (0.58) RPS6KB1GSK3BSMN1; SMN2TP53TSHR

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-3711609-A CERTAIN FURAZAN DERIVATIVES IN THERAPEUTIC COMPOSITIONS AND METHODS CIBA GEIGY CORP 1973-01-16 US disclosed