SCHEMBL9502623

SCHEMBL9502623

O=C(S)Oc1cc(Cl)nnc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ADORA2A P29274 5/20 0.34
▸ ADORA1 P30542 5/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PDK1 Q15118 1/20 0.33

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
SCHEMBL28056341 0.85 KDM4E (0.46) ALDH1A1ADORA2AADORA1RAB9AMAPT
SCHEMBL11091373 0.78 ADORA3 (0.40) ALDH1A1MEN1KMT2AADORA2AMAPT
SCHEMBL11085967 0.78 ALDH1A1 (0.38) ALDH1A1KMT2AADORA2AADORA1L3MBTL1
SCHEMBL11862609 0.77 ADORA2A (0.33) ALDH1A1MEN1KMT2AADORA2AADORA1
SCHEMBL17633516 0.76 AKR1C2 (0.45) ALDH1A1MEN1KMT2ACASP1RAB9A
SCHEMBL11787865 0.76 SMN1; SMN2 (0.39) ALDH1A1ADORA2AADORA1L3MBTL1ADORA2B
SCHEMBL11093901 0.75 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL11127349 0.75 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL11856659 0.74 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AADORA2AADORA1
Pyridate SCHEMBL53240 0.73 SOAT1 (0.40) ALDH1A1MEN1KMT2AMAPTNPSR1

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
US-5234897-A Defoliants;desiccants; selectively combating dicotyledon weeds in monocotyledon crops BAYER AKTIENGESELLSCHAFT (DE) 1993-08-10 — — US disclosed
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