SCHEMBL7075993

SCHEMBL7075993

Cc1nc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc2)no1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.66
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 4/20 0.57
GAA P10253 3/20 0.55
PKM P14618 5/20 0.53
F10 P00742 3/20 0.53
LMNA P02545 5/20 0.52
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 2/20 0.51
RAB9A P51151 1/20 0.51
USP2 O75604 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MGLL Q99685 1/20 0.51

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
SCHEMBL7070562 0.90 F10 (0.57) ATMF10
SCHEMBL7071582 0.89 LMNA (0.60) ATMSMN1; SMN2ALDH1A1GAALMNA
SCHEMBL7075122 0.89 LMNA (0.65) SMN1; SMN2ALDH1A1LMNAUSP2TSHR
SCHEMBL7074172 0.87 SMN1; SMN2 (0.56) ATMSMN1; SMN2ALDH1A1GAALMNA
SCHEMBL7074664 0.87 THRB (0.53) ATMSMN1; SMN2ALDH1A1GAAF10
SCHEMBL7069359 0.87 THRB (0.48) ATMSMN1; SMN2ALDH1A1GAAF10
SCHEMBL7069977 0.87 PKM (0.55) ATMSMN1; SMN2ALDH1A1GAAPKM
SCHEMBL7654110 0.87 LMNA (0.53) ATMSMN1; SMN2ALDH1A1GAAPKM
SCHEMBL7074222 0.87 LMNA (0.62) SMN1; SMN2ALDH1A1GAALMNAKMT2A
SCHEMBL7076687 0.86 TSHR (0.59) ALDH1A1GAALMNAKMT2AMEN1

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 2 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