SCHEMBL7330775

SCHEMBL7330775

CCOC(=O)CC(C)NC(=O)c1cc(I)cc(N)c1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.35
TP53 P04637 1/20 0.34
ALDH1A1 P00352 8/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
ALOX5 P09917 1/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
PTGER4 P35408 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7331590 0.88 THRB (0.34) THRBTP53ALDH1A1KDM4EHTT
SCHEMBL7332298 0.85 ALDH1A1 (0.38) THRBTP53ALDH1A1KDM4EHTT
SCHEMBL7334509 0.85 POLB (0.40) ALDH1A1HTTNPC1MEN1KMT2A
SCHEMBL7329570 0.83 ALDH1A1 (0.38) THRBTP53ALDH1A1KDM4ENPC1
SCHEMBL7332779 0.83 ALDH1A1 (0.44) THRBTP53ALDH1A1KDM4ENPC1
SCHEMBL7330770 0.80 THRB (0.36) THRBTP53ALDH1A1KDM4ENPC1
SCHEMBL7331581 0.76 THRB (0.36) THRBTP53ALDH1A1KDM4ENPC1
SCHEMBL7328040 0.74 ALDH1A1 (0.42) THRBTP53ALDH1A1KDM4ENPC1
SCHEMBL7334670 0.74 TACR3 (0.44) THRBTP53ALDH1A1KDM4ENPC1
SCHEMBL7329352 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2AMAPT

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 8 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-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