SCHEMBL7654301

SCHEMBL7654301

Cc1nc(-c2ccc(C(=O)N3CCN(C(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)cc2)no1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
TP53 P04637 2/20 0.56
POLB P06746 2/20 0.56
GAA P10253 1/20 0.51
FAAH O00519 1/20 0.51
TRPV1 Q8NER1 1/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
DGAT1 O75907 2/20 0.48
HTT P42858 2/20 0.47
MGLL Q99685 1/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL7073874 0.88 MAPT (0.52) MAPTTP53POLBKMT2AHPGD
SCHEMBL7649408 0.86 DGAT1 (0.58) MAPTPOLBGAAALDH1A1CYP3A4
SCHEMBL7648133 0.84 MAPT (0.59) MAPTPOLBGAAHPGDALDH1A1
SCHEMBL7653492 0.83 CNR1 (0.61) MAPTTRPV1
SCHEMBL7073993 0.82 ALDH1A1 (0.60) FAAHKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL7074644 0.81 RXFP1 (0.59) MAPTTP53POLBKMT2AALDH1A1
SCHEMBL8073643 0.79 ALDH1A1 (0.56) FAAHKMT2AALDH1A1CYP2C9HTT
SCHEMBL7074329 0.78 MAPT (0.59) MAPTPOLBKMT2AHPGDMEN1
SCHEMBL5332219 0.77 MAPT (0.61) MAPTTP53POLBKMT2AMEN1
SCHEMBL7070455 0.76 CYP3A4 (0.58) POLBGAAKMT2AHPGDMEN1

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