SCHEMBL7071445

SCHEMBL7071445

N=C(N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.62
LMNA P02545 3/20 0.62
TSHR P16473 3/20 0.60
CASP6 P55212 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TP53 P04637 1/20 0.56
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 2/20 0.52
HPGD P15428 1/20 0.52
GAA P10253 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL7074220 0.92 LMNA (0.71) F10LMNACASP6MEN1KMT2A
SCHEMBL7075851 0.90 USP2 (0.61) F10LMNATSHRCASP6KMT2A
Acetic Acid SCHEMBL28744327 0.89 LMNA (0.70) F10LMNACASP6MEN1KMT2A
SCHEMBL7069417 0.87 HPGD (0.68) LMNATSHRMEN1KMT2AALDH1A1
SCHEMBL7074494 0.86 F10 (0.66) F10LMNACASP6MEN1KMT2A
SCHEMBL7649509 0.85 GAA (0.61) LMNATSHRMEN1KMT2ATP53
SCHEMBL7076666 0.85 LMNA (0.72) F10LMNAMEN1KMT2AALDH1A1
SCHEMBL7077553 0.85 F10 (0.65) F10LMNAMEN1KMT2ACA12
Acetic Acid SCHEMBL27525182 0.84 LMNA (0.71) F10LMNACASP6MEN1KMT2A
Acetic Acid SCHEMBL27530029 0.84 F10 (0.61) F10LMNATSHRCASP6MEN1

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