SCHEMBL7651047

SCHEMBL7651047

N=C(N)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.58
MAPT P10636 5/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 3/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HTT P42858 2/20 0.48
CA12 O43570 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
CA1 P00915 2/20 0.48
THRB P10828 1/20 0.47
POLB P06746 1/20 0.47
PTPN11 Q06124 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7649409 0.90 F10 (0.60) F10MAPTLMNAGAAKMT2A
SCHEMBL7649390 0.90 KMT2A (0.56) MAPTLMNAGAAKMT2AMEN1
SCHEMBL6737341 0.86 F10 (0.77) F10
SCHEMBL7072206 0.86 F10 (0.52) F10MAPTLMNAGAAKMT2A
Hydrochloric Acid SCHEMBL5736315 0.86 F10 (0.61) F10MAPTLMNAGAA
Hydrochloric Acid SCHEMBL5733561 0.85 F10 (0.75) F10
Acetic Acid SCHEMBL27550413 0.83 F10 (0.71) F10
SCHEMBL7074052 0.81 F10 (0.56) F10MAPTLMNAGAAKMT2A
SCHEMBL7074610 0.80 GAA (0.59) F10MAPTLMNAGAAKMT2A
SCHEMBL7074239 0.80 F10 (0.63) F10LMNACA12CA2CA9

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