SCHEMBL7074438

SCHEMBL7074438

N=C(N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.69
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.49

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
Acetic Acid SCHEMBL27568115 0.95 F10 (0.64) F10MEN1KMT2AMAPTATM
SCHEMBL7070062 0.91 F10 (0.66) F10MEN1KMT2AMAPTCA12
SCHEMBL7077254 0.91 F10 (0.66) F10MEN1KMT2AMAPTLMNA
SCHEMBL7077553 0.88 F10 (0.65) F10MEN1KMT2AMAPTCA12
Acetic Acid SCHEMBL27525160 0.88 F10 (0.62) F10MEN1KMT2AMAPTLMNA
Acetic Acid SCHEMBL27550417 0.87 F10 (0.61) F10MEN1KMT2AMAPTCA12
SCHEMBL6737341 0.86 F10 (0.77) F10ATM
SCHEMBL7072134 0.86 F10 (0.63) F10MEN1KMT2ACA12CA1
Hydrochloric Acid SCHEMBL5733561 0.85 F10 (0.75) F10ATM
SCHEMBL7069339 0.85 CNR1 (0.55) F10KMT2AL3MBTL1

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-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed