SCHEMBL22890213

SCHEMBL22890213

N=C(OCc1ccccc1)c1cc(N)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
MAOB P27338 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAOA P21397 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 2/20 0.38

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
SCHEMBL22890769 0.80 RAB9A (0.57) TDP1MAPTKMT2AMEN1POLB
SCHEMBL27981799 0.76 ALDH1A1 (0.40) TDP1MAPTKMT2ARAB9AL3MBTL1
SCHEMBL20695025 0.75 ALDH1A1 (0.57) TDP1MAPTKMT2APOLBMAOB
SCHEMBL23812434 0.73 ALDH1A1 (0.63) TDP1MAPTKMT2APOLBMAOB
SCHEMBL20695026 0.72 ALDH1A1 (0.60) TDP1MAPTKMT2AMEN1USP2
SCHEMBL23812446 0.71 TDP1 (0.60) TDP1MAPTKMT2AMEN1POLB
SCHEMBL4771212 0.71 ALDH1A1 (0.60) TDP1MAPTKMT2APOLBRAB9A
SCHEMBL30984114 0.71 ALDH1A1 (0.51) TDP1MAPTKMT2APOLBRAB9A
SCHEMBL19481317 0.71 ALDH1A1 (0.51) TDP1MAPTKMT2APOLBMAOB
SCHEMBL4196344 0.70 TDP1 (0.59) TDP1MAPTKMT2ARAB9AL3MBTL1

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-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 WO disclosed