SCHEMBL7901101

SCHEMBL7901101

Cc1ccc(NC(=O)n2nnc3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
KMT2A Q03164 6/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 1/20 0.60
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
MGAM O43451 6/20 0.53
AMY1A P0DUB6 6/20 0.53
GAA P10253 6/20 0.53
SI P14410 6/20 0.53
MGAM2 Q2M2H8 6/20 0.53
ASAH1 Q13510 2/20 0.52
F2 P00734 1/20 0.50
HPGD P15428 1/20 0.50
SLC9A1 P19634 1/20 0.50
HTT P42858 2/20 0.49
F12 P00748 1/20 0.49
MIF P14174 1/20 0.49
MAPT P10636 2/20 0.48

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
SCHEMBL426720 0.88 GAA (0.59) KMT2ASMN1; SMN2ALDH1A1MEN1MGAM
SCHEMBL7196792 0.87 RPS6KA3 (0.54) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL424346 0.86 F12 (0.63) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL425448 0.86 GAA (0.54) RAB9ANPC1KMT2AALDH1A1MEN1
SCHEMBL425567 0.85 F12 (0.66) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11294103 0.83 KCNMA1 (0.57) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL425439 0.82 MGLL (0.53) KMT2ASMN1; SMN2ALDH1A1MEN1MGAM
SCHEMBL12593860 0.80 ASAH1 (0.62) RAB9ANPC1KMT2ASMN1; SMN2LMNA
SCHEMBL17875212 0.79 ASAH1 (0.59) KMT2AALDH1A1MGAMAMY1AGAA
SCHEMBL16706437 0.78 MGAM (0.77) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1

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-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO disclosed