SCHEMBL7069417

SCHEMBL7069417

N=C(N)c1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.68
MAPK1 P28482 1/20 0.68
POLB P06746 2/20 0.67
SLC6A7 Q99884 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
WDR5 P61964 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.64
TSHR P16473 3/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
FASN P49327 5/20 0.60

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
Acetic Acid SCHEMBL27530062 0.95 POLB (0.66) HPGDMAPK1POLBSLC6A7MEN1
SCHEMBL7074519 0.88 KDM4E (0.61) MAPK1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL10721898 0.88 MAPK1 (0.85) HPGDMAPK1POLBSLC6A7MEN1
SCHEMBL7071445 0.87 F10 (0.62) HPGDMAPK1POLBMEN1KMT2A
SCHEMBL9189037 0.84 ITGB3 (0.54) HPGDMAPK1POLBSLC6A7MEN1
SCHEMBL4719812 0.83 MAPK1 (0.77) HPGDMAPK1POLBSLC6A7MEN1
Hydrochloric Acid SCHEMBL8519571 0.83 ITGB3 (0.53) HPGDMAPK1POLBSLC6A7MEN1
SCHEMBL24065200 0.81 HPGD (0.70) HPGDMAPK1MEN1KMT2ATSHR
SCHEMBL6614562 0.81 HPGD (1.00) HPGDMAPK1POLBSLC6A7MEN1
Hydrochloric Acid SCHEMBL8718465 0.81 ITGB3 (0.68) HPGDPOLBMEN1KMT2ASMN1; SMN2

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