SCHEMBL3720264

SCHEMBL3720264

CC(N)c1ccc2nc(Oc3ccc(NC4CCCC4)cc3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SCN9A Q15858 9/20 0.38
GALR2 O43603 3/20 0.36
GALR1 P47211 3/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
FGFR2 P21802 1/20 0.34
IP6K1 Q92551 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
SCHEMBL3722382 0.84 ALOX5 (0.35) ALOX5KDM4EALDH1A1MAPTBLM
SCHEMBL3720554 0.84 ACACB (0.44) ALOX5SCN9A
SCHEMBL3728069 0.81 ALOX5 (0.39) ALOX5SCN9ASCN10A
SCHEMBL3722417 0.80 MEN1 (0.38) KDM4EMEN1APAF1ALDH1A1MAPT
SCHEMBL3719854 0.80 FGFR2 (0.37) ALOX5KDM4EMEN1ALDH1A1MAPT
SCHEMBL3720364 0.79 NCF1 (0.38) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL3722547 0.78 PDE4B (0.52) ALOX5MEN1MAPTKMT2ASCN9A
SCHEMBL3720268 0.78 KDM4E (0.36) ALOX5KDM4EMEN1APAF1ALDH1A1
SCHEMBL3722574 0.78 SCN9A (0.36) MAPTSCN9ASCN10A
SCHEMBL3717678 0.78 HTT (0.50) KDM4EMEN1ALDH1A1MAPTKMT2A

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed