SCHEMBL14950223

SCHEMBL14950223

C/C(=N\NC(=O)Sc1ccccc1)c1ccco1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
GAA P10253 4/20 0.56
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 2/20 0.56
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
PKM P14618 1/20 0.54
LMNA P02545 2/20 0.53
USP2 O75604 1/20 0.52
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
SCHEMBL9656234 0.81 POLB (0.69) POLBGAAALDH1A1TDP1KMT2A
SCHEMBL9656226 0.81 POLB (0.69) POLBGAAALDH1A1TDP1KMT2A
SCHEMBL14938452 0.76 POLB (0.68) POLBGAAALDH1A1KMT2ARAB9A
SCHEMBL14938448 0.75 RAB9A (0.65) POLBGAAALDH1A1TDP1KMT2A
SCHEMBL11606677 0.75 RAB9A (0.74) POLBGAAALDH1A1KMT2ARAB9A
SCHEMBL14942143 0.70 RAB9A (1.00) POLBGAAALDH1A1KMT2ARAB9A
SCHEMBL8290476 0.70 POLB (0.61) POLBGAAALDH1A1RAB9ANPC1
SCHEMBL14950234 0.70 GAA (0.38) POLBGAAALDH1A1RAB9ASMN1; SMN2
SCHEMBL940739 0.70 ALDH1A1 (0.64) POLBGAAALDH1A1TDP1RAB9A
SCHEMBL942207 0.70 ALDH1A1 (0.64) POLBGAAALDH1A1TDP1RAB9A

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