SCHEMBL5776824

SCHEMBL5776824

CC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.76
ALDH1A1 P00352 2/20 0.59
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
C3AR1 Q16581 1/20 0.47
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALOX12 P18054 1/20 0.44
IGF1R P08069 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
SLC9A1 P19634 1/20 0.41
PDE4B Q07343 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
SCHEMBL3055514 0.86 RPA1 (0.78) RPA1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL13078670 0.86 RPA1 (0.55) RPA1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL11804965 0.86 KDM4E (0.59) RPA1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL9477782 0.80 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AHPGDLMNA
SCHEMBL12563599 0.79 KDM4E (0.51) RPA1ALDH1A1KDM4EHPGDLMNA
SCHEMBL1219840 0.78 SLC9A1 (0.63) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL3014670 0.78 KDM4E (0.57) RPA1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL13078607 0.77 SLC9A1 (0.59) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL13078324 0.75 NR4A1 (0.74) C3AR1NR4A1NR4A2NR4A3SLC9A1
SCHEMBL13078606 0.74 ALDH1A1 (0.49) RPA1ALDH1A1NPC1RAB9AKDM4E

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-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed