SCHEMBL7530930

SCHEMBL7530930

C=C(c1cccc(Br)c1)c1cnc2c(=O)n(C)c(=O)n(C)c2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.43
MAOA P21397 5/20 0.43
ADORA2A P29274 3/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 3/20 0.37
ADORA1 P30542 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6316625 0.80 KDM4E (0.45) MAOBMAOAADORA2AKDM4EALDH1A1
SCHEMBL7524591 0.75 ALDH1A1 (0.56) MAOBMAOAADORA2AKDM4EALDH1A1
SCHEMBL5437603 0.66 ALDH1A1 (0.50) ADORA2AKDM4EALDH1A1MEN1USP2
SCHEMBL5448218 0.66 ALDH1A1 (0.53) ADORA2AKDM4EALDH1A1MEN1USP2
SCHEMBL6316654 0.65 ALDH1A1 (0.65) MAOBMAOAADORA2AKDM4EALDH1A1
SCHEMBL5439939 0.64 KDM4E (0.57) MAOBMAOAADORA2AKDM4EALDH1A1
SCHEMBL5454832 0.64 ALDH1A1 (0.50) ADORA2AKDM4EALDH1A1MEN1USP2
SCHEMBL5440379 0.64 ALDH1A1 (0.54) MAOBMAOAADORA2AKDM4EALDH1A1
SCHEMBL5438439 0.64 ALDH1A1 (0.50) ADORA2AKDM4EALDH1A1MEN1USP2
SCHEMBL8865210 0.63 C1S (0.56) ALDH1A1MEN1GAAKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187615-A2 IMMUNOSURPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. Leuven Research & Development (BE) 2002-03-20 EP disclosed
WO-2000045800-A2 IMMUNOSURPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-08-10 WO disclosed