SCHEMBL6547151

SCHEMBL6547151

O=C(c1ccc(-c2ccncc2)cc1)N1CCN(S(=O)(=O)c2cccc3cc(Cl)ccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
LSS P48449 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.46
SLC6A7 Q99884 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
SLC6A3 Q01959 1/20 0.46
F10 P00742 5/20 0.46
KLK1 P06870 1/20 0.46
ROCK2 O75116 2/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL5193868 0.82 ATM (0.71) ATMLSSL3MBTL1LMNAF10
Hydrochloric Acid SCHEMBL6195419 0.81 ATM (0.69) ATMLSSL3MBTL1LMNAF10
SCHEMBL5196283 0.78 F10 (0.71) LSSF10KLK1
SCHEMBL6306860 0.78 LSS (0.50) ATMLSSMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6737310 0.78 F10 (0.70) ATMLSSKMT2AALDH1A1L3MBTL1
SCHEMBL6731641 0.78 LSS (0.52) ATMLSSMEN1KMT2AALDH1A1
SCHEMBL6731057 0.77 LSS (0.51) ATMLSSMEN1KMT2AALDH1A1
SCHEMBL6730431 0.77 LSS (0.53) ATMLSSMEN1KMT2AALDH1A1
SCHEMBL6421733 0.77 F10 (0.71) ATMLSSALDH1A1L3MBTL1F10
SCHEMBL6725737 0.77 LSS (0.50) ATMLSSMEN1KMT2AALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937048-B1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ASTRAZENECA AB (SE) 2004-01-21 EP disclosed
EP-1358909-A1 Heteroaryl-phenyl derivatives as factor xa inhibitors for use as antithrombotic and anticoagulant agents AstraZeneca AB (SE) 2003-11-05 EP disclosed
US-6300330-B1 BLOOD COAGULATION FACTOR X INHIBITORS AS ANTICOAGULANTS ZENECA LIMITED (GB) 2001-10-09 US disclosed
EP-0937048-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1999-08-25 EP disclosed
WO-1998021188-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1998-05-22 WO disclosed