SCHEMBL9565808

SCHEMBL9565808

CSc1cccc(Cl)c1C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FEN1 P39748 1/20 0.39

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
SCHEMBL1042856 0.81 ALDH1A1 (0.59) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL31005115 0.81 AKR1C3 (0.50) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL11761776 0.78 AKR1C3 (0.56) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL11123949 0.78 MAPT (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6869657 0.76 MAPT (0.43) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10955387 0.75 MAPT (0.43) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4568726 0.75 SRD5A2 (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11760101 0.74 AKR1C3 (0.43) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8578095 0.74 AKR1C3 (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL533764 0.74 ALDH1A1 (0.50) MAPTMEN1KMT2AALDH1A1LMNA

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
EP-0526951-A1 3-Phenyl benzo b thiophenes as pesticidal compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-02-10 EP disclosed