SCHEMBL9329609

SCHEMBL9329609

CC(NC(=O)Nc1c(F)cc(F)cc1F)C1c2ccccc2COc2ccc(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.38
ROCK2 O75116 9/20 0.35
TBXAS1 P24557 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8616314 0.79 TBXA2R (0.39) TBXA2RROCK2TBXAS1ALDH1A1MAPT
SCHEMBL9329616 0.78 TBXAS1 (0.42) TBXA2RROCK2TBXAS1ALDH1A1MAPT
SCHEMBL8798158 0.72 KMT2A (0.43) ALDH1A1MAPTNPC1RAB9APOLB
SCHEMBL8797482 0.71 LPAR1 (0.45) TBXA2RALDH1A1MAPTRAB9ATP53
SCHEMBL8614659 0.70 TBXAS1 (0.39) TBXA2RROCK2TBXAS1TP53POLB
SCHEMBL8797449 0.69 LPAR1 (0.44) TBXA2RALDH1A1MAPTTP53POLB
SCHEMBL8613749 0.69 LPAR1 (0.45) TBXA2RTBXAS1
SCHEMBL8620512 0.69 RAB9A (0.41) TBXAS1ALDH1A1MAPTNPC1RAB9A
SCHEMBL8797662 0.68 LPAR1 (0.46) TBXA2RALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL8797675 0.67 HTT (0.43) TBXA2RMAPTTP53

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-0588608-A2 Tricyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-03-23 EP disclosed