SCHEMBL8068043

SCHEMBL8068043

O=C(C1CN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CCN1C(=O)C1CCN(c2ccncc2)CC1)N1CCS(=O)(=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.57
F10 P00742 3/20 0.57
CHRM1 P11229 9/20 0.44
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL1387221 0.91 LSS (0.59) LSSF10CHRM1USP2LMNA
SCHEMBL7498568 0.90 LSS (0.58) LSSF10CHRM1USP2LMNA
SCHEMBL1387346 0.88 LSS (0.58) LSSF10CHRM1USP2LMNA
SCHEMBL1387358 0.83 LSS (0.81) LSSF10CHRM1USP2LMNA
SCHEMBL1387218 0.83 F10 (0.61) LSSF10CHRM1USP2LMNA
SCHEMBL1387169 0.83 LSS (0.53) LSSF10LMNA
SCHEMBL7404632 0.81 F10 (0.50) LSSF10CHRM1
SCHEMBL7448914 0.80 F10 (0.49) LSSF10CHRM1
SCHEMBL6793676 0.80 LSS (0.74) LSSF10CHRM1USP2LMNA
SCHEMBL6791566 0.80 F10 (0.60) LSSF10CHRM1USP2LMNA

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
US-6022869-A Aminoheterocyclic compounds with antithrombotic/anticoagulant effect ZENECA LIMITED (GB) 2000-02-08 US disclosed