SCHEMBL4885957

SCHEMBL4885957

C=CCNc1ccc2nnc(CCCCC)n2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
LMNA P02545 1/20 0.35
PIM1 P11309 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
MARK3 P27448 1/20 0.34
GSK3B P49841 1/20 0.34
PRKAA1 Q13131 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
PIM3 Q86V86 1/20 0.34

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
SCHEMBL4797576 0.73 KDM4E (0.50) KMT2APOLBMEN1ALDH1A1NPC1
SCHEMBL15254256 0.65 HCAR3 (0.41) PIM1
SCHEMBL23255570 0.62 FYN (0.53) KMT2APOLBMEN1ALDH1A1GAA
SCHEMBL4784311 0.62 ALDH1A1 (0.39) KMT2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL1240317 0.61 CA12 (0.47) ALDH1A1RAB9AKDM4ELMNAMAPK1
Octane SCHEMBL4474706 0.61 EPHX1 (0.46) ALDH1A1
SCHEMBL19182625 0.61 TLR8 (0.44)
SCHEMBL4850834 0.60 GAA (0.42) KMT2APOLBMEN1ALDH1A1GAA
SCHEMBL9512936 0.60 ABL1 (0.47) ALDH1A1LMNAMAPK1
SCHEMBL31497267 0.60 THRA (0.53) POLBALDH1A1NPC1RAB9ALMNA

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
WO-2008069500-A1 TRIAZOLOPYRIDAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-12 WO disclosed