SCHEMBL7401686

SCHEMBL7401686

N#Cc1ccccc1-n1cc[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.44
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 2/20 0.35
OPRM1 P35372 2/20 0.34
OPRL1 P41146 1/20 0.34
TSHR P16473 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTK2 Q05397 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL7457109 0.80 CRBN (0.51) MCL1KMT2AKDM4ECA1CA2
SCHEMBL27744470 0.74 KMT2A (0.49) MCL1KMT2AKDM4EALDH1A1CA1
SCHEMBL10980130 0.74 ALDH1A1 (0.64) KMT2AALDH1A1TDP1MAPTL3MBTL1
SCHEMBL11241498 0.72 GAA (0.55) MCL1KMT2AKDM4EALDH1A1HPGD
SCHEMBL4732529 0.69 DDB1 (0.59) KDM4EALDH1A1TDP1HPGD
SCHEMBL7521304 0.68 KMT2A (0.41) MCL1KMT2AKDM4EALDH1A1CA1
SCHEMBL29510552 0.67 TLR9 (0.64) MCL1KDM4EALDH1A1TDP1CA1
SCHEMBL3771981 0.67 TLR9 (0.64) MCL1KDM4EALDH1A1TDP1CA1
SCHEMBL840957 0.67 KMT2A (0.49) KMT2AKDM4EALDH1A1MAPTTSHR
SCHEMBL20881865 0.67 KMT2A (0.52) KMT2AKDM4EALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP disclosed
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US disclosed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed