SCHEMBL6295010

SCHEMBL6295010

N#Cc1ccc2cc(Oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3-c3ccsc3C(=O)OC(=O)C(F)(F)F)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 14/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TBXA2R P21731 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL6300632 0.94 PLA2G7 (0.43) PLA2G7
SCHEMBL6300709 0.92 PLA2G7 (0.46) PLA2G7MEN1KMT2AATM
Trifluoroacetic Acid SCHEMBL6295008 0.90 PLA2G7 (0.46) PLA2G7MEN1KMT2ATBXA2RATM
SCHEMBL6296007 0.89 BRD4 (0.42) PLA2G7TBXA2R
Trifluoroacetic Acid SCHEMBL6300629 0.84 PLA2G7 (0.44) PLA2G7ATMALDH1A1
Trifluoroacetic Acid SCHEMBL6300704 0.81 PLA2G7 (0.47) PLA2G7MEN1KMT2AATMALDH1A1
Trifluoroacetic Acid SCHEMBL6296006 0.78 BRD4 (0.43) PLA2G7TBXA2RATM
SCHEMBL7155329 0.73 F2 (0.47) PLA2G7MEN1KMT2AKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL7155223 0.71 PLA2G7 (0.43) PLA2G7MEN1KMT2A
SCHEMBL6294970 0.68 SCN9A (0.41) TBXA2R

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
US-6916837-B2 Amidino derivatives and anticoagulants and thrombosis therapeutic agents containing them EISAI CO., LTD. (JP) 2005-07-12 US disclosed
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP disclosed