SCHEMBL3345983

SCHEMBL3345983

CCn1cc(C(N)=O)c2cc[c]cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.43
KMT2A Q03164 3/20 0.41
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 1/20 0.39
BRCA1 P38398 1/20 0.38
MAP2K2 P36507 1/20 0.37
MAP2K1 Q02750 1/20 0.37
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
ICMT O60725 1/20 0.36
IDO1 P14902 1/20 0.35
CYP1A2 P05177 2/20 0.35
MEN1 O00255 1/20 0.35
ABCC4 O15439 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL3341266 0.80 KDM4E (0.40) NR4A2KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL28070206 0.78 NR4A2 (0.68) NR4A2KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL3650821 0.77 CNR1 (0.45) CNR1ICMT
SCHEMBL10193361 0.75 CNR1 (0.46) NR4A2KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL3483376 0.75 NR4A2 (0.44) NR4A2KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL308260 0.72 OPRM1 (0.48) KMT2ALMNAALDH1A1KDM4EHSD17B10
SCHEMBL28131233 0.72 ICMT (0.55) NR4A2KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL980705 0.71 KDM4E (0.57) NR4A2KMT2AALDH1A1CNR1TSHR
SCHEMBL3653448 0.71 CNR2 (0.47) KMT2ALMNAALDH1A1SMN1; SMN2CNR1
SCHEMBL3339082 0.71 KDM4E (0.43) NR4A2KMT2ALMNAALDH1A1SMN1; 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
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed