SCHEMBL14938448

SCHEMBL14938448

C/C(=N/NC(=O)Oc1ccccc1)c1ccco1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.65
NPC1 O15118 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
POLB P06746 3/20 0.62
KMT2A Q03164 3/20 0.56
USP2 O75604 1/20 0.55
GAA P10253 5/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL11606677 0.84 RAB9A (0.74) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL9656226 0.81 POLB (0.69) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL9656234 0.81 POLB (0.69) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL14938455 0.79 MAPT (0.64) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL14942143 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL14938452 0.76 POLB (0.68) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL14950223 0.75 POLB (0.58) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL30616243 0.74 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL14938481 0.74 MAPK1 (0.55) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL5943067 0.73 KMT2A (0.76) RAB9ANPC1SMN1; SMN2KMT2AGAA

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-2013067646-A1 PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS UNIVERSITY OF OTTAWA (CA) 2013-05-16 WO disclosed