SCHEMBL6786248

SCHEMBL6786248

O=C(c1ccc(-c2cc[n+]([O-])cc2)cc1)N1CCN(S(=O)(=O)c2[nH]c3ccc(Cl)cc3c2CO)CC1.O=C(c1ccc(-c2ccncc2)cc1)N1CCN(S(=O)(=O)c2[nH]c3ccc(Cl)cc3c2CO)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.44
LSS P48449 2/20 0.43
KLK1 P06870 1/20 0.42
MAP2 P11137 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 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
SCHEMBL6729341 0.95 F10 (0.46) F10KLK1MAP2ALDH1A1L3MBTL1
SCHEMBL6730822 0.94 LSS (0.48) F10LSSKLK1MAP2ALDH1A1
SCHEMBL6729605 0.86 F10 (0.44) F10KLK1MAP2LMNA
SCHEMBL6781215 0.86 F10 (0.37) F10KLK1ALDH1A1L3MBTL1LMNA
SCHEMBL6733829 0.86 F10 (0.49) F10KLK1MAP2
SCHEMBL6733956 0.84 F10 (0.47) F10KLK1MAP2ALDH1A1L3MBTL1
SCHEMBL6726115 0.84 F10 (0.50) F10LSSKLK1MAP2ALDH1A1
SCHEMBL6730891 0.82 F10 (0.51) F10LSSKLK1MAP2ALDH1A1
SCHEMBL6729442 0.81 F10 (0.47) F10KLK1MAP2LMNA
SCHEMBL6735051 0.80 F10 (0.46) F10KLK1MAP2

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-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed