SCHEMBL8618759

SCHEMBL8618759

COc1cc(OC)c(NC(=O)NCC2c3ccccc3COc3ccc(Br)cc32)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 5/20 0.40
TBXAS1 P24557 2/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 2/20 0.38
SHMT2 P34897 1/20 0.38
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL8615719 0.83 TBXAS1 (0.41) TBXA2RTBXAS1MAPTTP53ATM
SCHEMBL8613749 0.82 LPAR1 (0.45) TBXA2RTBXAS1
SCHEMBL8616314 0.81 TBXA2R (0.39) TBXA2RTBXAS1MAPTTP53TSHR
SCHEMBL9331532 0.81 TBXA2R (0.39) TBXA2RTBXAS1MAPTTP53SHMT2
SCHEMBL8615128 0.79 LPAR1 (0.48)
SCHEMBL8620383 0.77 TBXAS1 (0.43) TBXA2RTBXAS1MAPTTP53GAA
SCHEMBL8620512 0.76 RAB9A (0.41) TBXAS1MAPTTP53KMT2ATSHR
SCHEMBL8617043 0.73 TBXA2R (0.39) TBXA2RTBXAS1MAPTTP53KMT2A
SCHEMBL9329616 0.73 TBXAS1 (0.42) TBXA2RTBXAS1MAPTTP53
SCHEMBL8614659 0.72 TBXAS1 (0.39) TBXA2RTBXAS1TP53KMT2ATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588608-B1 Tricyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1998-05-06 EP disclosed
EP-0588608-A2 Tricyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-03-23 EP disclosed