SCHEMBL8536552

SCHEMBL8536552

CC1=C(C(=O)NN)N=c2cc3c(c(C)c21)=Nc1ccccc1-3

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PIK3CD O00329 1/20 0.31
P2RX7 Q99572 2/20 0.31
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL8149445 0.89 TERT (0.36) KDM4ESMN1; SMN2
SCHEMBL8910714 0.88 ALDH1A1 (0.34) KDM4EALDH1A1LMNAHSP90AA1MAPT
SCHEMBL8909578 0.86 HPGD (0.41) RAB9AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL8146941 0.86 GRIN1 (0.39) KDM4ESMN1; SMN2
SCHEMBL8154329 0.85 KMT2A (0.31) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8910392 0.85 CCNB2 (0.32) LMNAMAPTHTT
SCHEMBL8142537 0.85 MYC (0.34) RAB9AKDM4EALDH1A1MAPTHTT
SCHEMBL8142555 0.85 NPC1 (0.40) RAB9A
SCHEMBL9057850 0.82 MYC (0.36)
SCHEMBL9048962 0.82 PDCD1 (0.34) KDM4EALDH1A1MAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5770598-A ANTITUMOR AGENTS; REACTING WITH CARBONYL DIIMIDAZOLE AND AMIDOXIMES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1998-06-23 US disclosed