SCHEMBL7368934

SCHEMBL7368934

O=C(O)c1ccnc(CCl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
KDM5A P29375 2/20 0.49
KDM3A Q9Y4C1 2/20 0.49
JMJD1C Q15652 1/20 0.49
ALOX15 P16050 2/20 0.43
TSHR P16473 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM6B O15054 1/20 0.41
TET3 O43151 1/20 0.41
KDM4A O75164 1/20 0.41
BBOX1 O75936 1/20 0.41
MAPT P10636 1/20 0.41
KDM5C P41229 1/20 0.41
ASPH Q12797 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
TET2 Q6N021 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
KDM7A Q6ZMT4 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
SCHEMBL18036607 0.82 KDM4E (0.50) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL25176793 0.81 KDM4E (0.49) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL31053756 0.81 KDM4E (0.49) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL9952304 0.81 KDM4E (0.49) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL30069017 0.77 KDM4E (0.45) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL25294721 0.77 KDM4E (0.45) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL3281281 0.75 KDM4E (0.51) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL7066012 0.74 ALDH1A1 (0.46) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL1397438 0.74 KDM4E (0.46) KDM4EKDM5AKDM3AJMJD1CALOX15
SCHEMBL319105 0.74 KDM4E (0.53) KDM4EKDM5AKDM3AJMJD1CALOX15

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-5691329-A Compounds containing basic and acidic termini useful as fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-25 US disclosed
US-5563158-A CARDIOVASCULAR DISORDERS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-08 US disclosed
WO-1995018111-A1 COMPOUNDS CONTAINING BASIC AND ACIDIC TERMINI USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-06 WO disclosed