SCHEMBL7075145

SCHEMBL7075145

N=C(N)c1ccc(CN2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 1/20 0.51
LSS P48449 3/20 0.50

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 SCHEMBL27568116 0.95 F10 (0.52) F10ALDH1A1LMNAMAPK1POLB
SCHEMBL7074115 0.90 KDM4E (0.59) F10ALDH1A1LMNASMN1; SMN2KDM4E
Acetic Acid SCHEMBL27550435 0.85 ALDH1A1 (0.57) F10ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL7069988 0.85 F10 (0.59) F10ALDH1A1LMNAMAPK1POLB
SCHEMBL1303308 0.85 F10 (0.71) F10
SCHEMBL7074052 0.84 F10 (0.56) F10ALDH1A1LMNASMN1; SMN2
SCHEMBL7074610 0.84 GAA (0.59) F10ALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6895022 0.84 F10 (0.70) F10
SCHEMBL6737341 0.83 F10 (0.77) F10
Hydrochloric Acid SCHEMBL5733561 0.83 F10 (0.75) F10

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 4 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
EP-1025086-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2000-08-09 EP disclosed
WO-1999016751-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 1999-04-08 WO disclosed