SCHEMBL8638995

SCHEMBL8638995

CCC(=O)OC(c1ccccc1Cl)C(C#N)c1nc(-c2ccccc2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRE11 P49959 5/20 0.39
USP30 Q70CQ3 1/20 0.37
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GLA P06280 1/20 0.35
UCHL1 P09936 1/20 0.35
CPB1 P15086 1/20 0.35
SMO Q99835 2/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
GSTO1 P78417 1/20 0.34
CTSK P43235 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL29359396 0.69 MEN1 (0.47) MRE11ALDH1A1MAPTPOLBMEN1
SCHEMBL11176624 0.67 NPC1 (0.44) MRE11PARP1ALDH1A1MAPTMEN1
SCHEMBL9452440 0.64 ALDH1A1 (0.51) MRE11ALDH1A1MAPTPOLBMEN1
SCHEMBL28005670 0.63 ALDH1A1 (0.51) ALDH1A1NPC1
SCHEMBL2229829 0.62 ALDH1A1 (0.45) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL21495107 0.61 ALDH1A1 (0.50) MRE11ALDH1A1MAPTMEN1KMT2A
SCHEMBL8682766 0.61 RAB9A (0.46) MRE11ALDH1A1MAPTPOLBMEN1
SCHEMBL21784013 0.61 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL4714372 0.61 PARP1 (0.48) PARP1ALDH1A1MAPTPOLBMEN1
SCHEMBL4714808 0.61 CTSK (0.66) CTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10298169-A None JP disclosed
JP-H10298169-A ANTIFOULING AGENT FOR FISHING NET IHARA CHEM IND CO LTD 1998-11-10 JP disclosed