SCHEMBL7689784

SCHEMBL7689784

CCOC(=O)C(=Cc1cccc(C#N)c1)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.64
CD274 Q9NZQ7 1/20 0.64
MAPT P10636 4/20 0.46
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.41
GRM5 P41594 1/20 0.41
MEN1 O00255 3/20 0.41
P4HB P07237 3/20 0.41
FBP1 P09467 2/20 0.40
ELANE P08246 1/20 0.40
GRK2 P25098 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
NTSR1 P30989 1/20 0.39
UBE2N P61088 1/20 0.39

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
SCHEMBL7689781 1.00 PDCD1 (0.64) PDCD1CD274MAPTALDH1A1KMT2A
SCHEMBL1553872 0.82 MAPT (0.58) PDCD1CD274MAPTALDH1A1KMT2A
SCHEMBL1553869 0.82 MAPT (0.58) PDCD1CD274MAPTALDH1A1KMT2A
SCHEMBL7417299 0.79 PDCD1 (0.74) PDCD1CD274MAPTALDH1A1KMT2A
SCHEMBL21457289 0.78 PDCD1 (1.00) PDCD1CD274MAPTALDH1A1KMT2A
SCHEMBL21457292 0.78 PDCD1 (1.00) PDCD1CD274MAPTALDH1A1KMT2A
SCHEMBL10848993 0.77 PDCD1 (0.71) PDCD1CD274MAPTALDH1A1KMT2A
SCHEMBL10375509 0.77 PDCD1 (0.71) PDCD1CD274MAPTALDH1A1KMT2A
SCHEMBL1695615 0.73 CA12 (0.47) MAPTALDH1A1KMT2AKDM4ELMNA
SCHEMBL8871187 0.72 KMT2A (0.45) MAPTALDH1A1KMT2AKDM4ELMNA

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-6399627-B1 ANTICOAGULANTS; PROTHROMINASE, SERINE PROTEASE INHIBITOR; ACRYLAMIDE DERIVATIVES COR THERAPEUTICS, INC. 2002-06-04 US disclosed
EP-1159264-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-12-05 EP disclosed
WO-2000047554-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2000-08-17 WO disclosed