SCHEMBL7324840

SCHEMBL7324840

O=c1oc(=O)n(Cc2ccccc2)c2cc3ccccc3cc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.55
CD74 P04233 2/20 0.51
NPC1 O15118 1/20 0.51
IDO1 P14902 2/20 0.44
POLB P06746 2/20 0.44
P2RX4 Q99571 1/20 0.44
SRC P12931 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ELANE P08246 1/20 0.43
CCR2 P41597 1/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7330762 0.89 FAAH (0.45) MIFCD74NPC1IDO1POLB
SCHEMBL1522607 0.81 MIF (0.66) MIFCD74NPC1IDO1POLB
SCHEMBL5535346 0.81 IDO1 (0.54) MIFCD74NPC1IDO1POLB
SCHEMBL26124443 0.81 IDO1 (0.57) MIFCD74NPC1IDO1
SCHEMBL9371190 0.80 MIF (0.71) MIFCD74NPC1IDO1POLB
SCHEMBL5124040 0.80 MIF (0.71) MIFCD74NPC1POLBP2RX4
SCHEMBL5123471 0.80 MIF (0.67) MIFCD74NPC1IDO1POLB
SCHEMBL9375422 0.80 POLB (0.57) MIFCD74POLBP2RX4MAPK1
SCHEMBL7330501 0.78 CD74 (0.44) MIFCD74IDO1POLBALDH1A1
SCHEMBL1522752 0.77 MIF (0.55) MIFCD74NPC1IDO1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed