SCHEMBL2167706

SCHEMBL2167706

CC(C)(C)Oc1ccc(CN2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(N3CCOCC3)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAOB P27338 1/20 0.40
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 3/20 0.35
USP30 Q70CQ3 2/20 0.34
CHRM2 P08172 3/20 0.34
CHRM3 P20309 3/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL2171277 0.94 KMT2A (0.42) KMT2ANPC1RAB9AMAOBTP53
SCHEMBL2168701 0.92 KMT2A (0.43) KMT2ANPC1RAB9AMAOBTP53
SCHEMBL2180812 0.91 NPC1 (0.43) KMT2ANPC1RAB9AMAOBTP53
SCHEMBL2169356 0.91 MAOB (0.48) KMT2ANPC1RAB9AMAOBTP53
SCHEMBL2169397 0.90 KMT2A (0.42) KMT2ANPC1RAB9AMAOBTP53
SCHEMBL2168993 0.90 NPC1 (0.46) KMT2ANPC1RAB9AMAOBTP53
SCHEMBL2168862 0.90 KMT2A (0.41) KMT2ANPC1RAB9AMAOBTP53
SCHEMBL2171181 0.89 NPC1 (0.44) KMT2ANPC1RAB9AMAOBTP53
SCHEMBL2179221 0.89 NPC1 (0.45) KMT2ANPC1RAB9AMAOBTP53
SCHEMBL2168075 0.89 NPC1 (0.45) KMT2ANPC1RAB9AMAOBTP53

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
JP-4732354-B2 2011-07-27 JP claimed