SCHEMBL9329616

SCHEMBL9329616

O=C(NCCC1c2ccccc2COc2ccc(Br)cc21)Nc1c(F)cc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.42
TBXA2R P21731 9/20 0.40
ROCK2 O75116 2/20 0.36
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 2/20 0.33
FAAH O00519 1/20 0.33
NQO2 P16083 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 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 0.91 TBXA2R (0.39) TBXAS1TBXA2RROCK2MAPTTP53
SCHEMBL8620512 0.80 RAB9A (0.41) TBXAS1MAPTTP53RAB9ASMN1; SMN2
SCHEMBL8614659 0.79 TBXAS1 (0.39) TBXAS1TBXA2RROCK2TP53
SCHEMBL9329609 0.78 TBXA2R (0.38) TBXAS1TBXA2RROCK2MAPTTP53
SCHEMBL8615719 0.76 TBXAS1 (0.41) TBXAS1TBXA2RMAPTTP53SMN1; SMN2
SCHEMBL8613749 0.74 LPAR1 (0.45) TBXAS1TBXA2R
SCHEMBL8617506 0.73 TBXA2R (0.46) TBXAS1TBXA2R
SCHEMBL8618759 0.73 TBXA2R (0.40) TBXAS1TBXA2RMAPTTP53
SCHEMBL8798158 0.70 KMT2A (0.43) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL9063217 0.69 L3MBTL1 (0.47) TBXAS1TBXA2RALDH1A1

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