SCHEMBL7424167

SCHEMBL7424167

CCOC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(C(=N)N)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.70
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPT P10636 3/20 0.52
NOD2 Q9HC29 2/20 0.51
NOD1 Q9Y239 2/20 0.51
LMNA P02545 3/20 0.50
F2 P00734 1/20 0.50
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM1A O60341 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47

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
Iodide SCHEMBL7717783 0.99 F10 (0.68) F10MEN1KMT2AMAPTNOD2
SCHEMBL3963306 0.85 MEN1 (0.60) F10MEN1KMT2AMAPTNOD2
SCHEMBL7431902 0.83 MEN1 (0.57) F10MEN1KMT2AMAPTNOD2
SCHEMBL6436953 0.82 F10 (1.00) F10MEN1KMT2AMAPTNOD2
Hydrochloric Acid SCHEMBL6436952 0.81 F10 (0.98) F10MEN1KMT2AMAPTNOD2
SCHEMBL14994342 0.79 MEN1 (0.70) F10MEN1KMT2AMAPTNOD2
SCHEMBL6435748 0.76 F10 (1.00) F10MEN1KMT2ANOD2NOD1
SCHEMBL10629278 0.76 KMT2A (0.71) F10MEN1KMT2ANOD2NOD1
Hydrochloric Acid SCHEMBL6435742 0.76 F10 (0.98) F10MEN1KMT2ANOD2NOD1
SCHEMBL18202169 0.75 MEN1 (0.74) F10MEN1KMT2ANOD2NOD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 WO disclosed