SCHEMBL7072206

SCHEMBL7072206

N=C(N)c1ccc(NC(=O)ON2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.52
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX12 P18054 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCL1 Q07820 1/20 0.42
KDM4E B2RXH2 1/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42

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
SCHEMBL7074173 0.91 MEN1 (0.53) MEN1KMT2ANPC1MAPTLMNA
SCHEMBL7074257 0.90 F10 (0.53) F10MEN1KMT2AMAPTLMNA
SCHEMBL7651047 0.86 F10 (0.58) F10MEN1KMT2AMAPTLMNA
SCHEMBL7074005 0.81 GPR55 (0.52) MEN1KMT2AMAPTLMNAGAA
SCHEMBL6737341 0.81 F10 (0.77) F10
Hydrochloric Acid SCHEMBL5736315 0.80 F10 (0.61) F10MAPTLMNAGAA
Hydrochloric Acid SCHEMBL5733561 0.80 F10 (0.75) F10
SCHEMBL7074052 0.79 F10 (0.56) F10MEN1KMT2AMAPTLMNA
SCHEMBL7070051 0.79 LMNA (0.52) F10MAPTLMNAGAATP53
SCHEMBL7076585 0.79 TSHR (0.47) MEN1KMT2AMAPTLMNAGAA

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-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed