SCHEMBL7653773

SCHEMBL7653773

Cc1nc(-c2ccc(N(CC(=O)O)C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cc2)no1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ADRB2 P07550 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
F10 P00742 10/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
THRB P10828 1/20 0.41
F2 P00734 2/20 0.41
POLB P06746 1/20 0.40

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 0.83 F10 (0.57) F10F2
SCHEMBL7076611 0.81 F10 (0.53) ALDH1A1HTTF10PKMF2
SCHEMBL7073572 0.80 PKM (0.55) ALDH1A1HTTMAPTLMNAF10
SCHEMBL7070020 0.80 MAPT (0.59) ALDH1A1MAPTLMNAKDM4EADRB2
SCHEMBL7648189 0.80 LMNA (0.53) HTTMAPTLMNAKDM4EF10
SCHEMBL7076926 0.79 LSS (0.52) ALDH1A1MAPTLMNAKDM4ETP53
SCHEMBL7655612 0.76 MAOA (0.42) HTTMAPTLMNAHPGDTHRB
SCHEMBL7649437 0.76 PKM (0.46) ALDH1A1MAPTLMNAF10PKM
SCHEMBL7070051 0.76 LMNA (0.52) ALDH1A1HTTMAPTLMNAHPGD
SCHEMBL7071746 0.75 MEN1 (0.54) ALDH1A1HTTLMNAPOLB

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-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed