SCHEMBL8630241

SCHEMBL8630241

COC(=O)c1cccnc1SCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 1.00
PKM P14618 1/20 1.00
ALDH1A1 P00352 4/20 0.72
CYP2C9 P11712 1/20 0.72
SMN1; SMN2 Q16637 4/20 0.61
TP53 P04637 1/20 0.61
RAB9A P51151 3/20 0.56
TSHR P16473 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
NPC1 O15118 2/20 0.55
GAA P10253 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
HPGD P15428 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
KDR P35968 1/20 0.49

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
SCHEMBL3421265 0.88 L3MBTL1 (0.79) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL13242893 0.86 L3MBTL1 (0.76) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL9869259 0.85 PKM (0.73) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL3594763 0.84 ALDH1A1 (1.00) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL17633824 0.83 L3MBTL1 (0.71) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL9661093 0.83 L3MBTL1 (0.71) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
Hydrochloric Acid SCHEMBL10517128 0.82 ALDH1A1 (0.97) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL13207381 0.82 ALDH1A1 (0.74) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2
SCHEMBL9661173 0.81 PKM (0.68) L3MBTL1PKMALDH1A1SMN1; SMN2TP53
SCHEMBL9370578 0.81 ALDH1A1 (0.78) L3MBTL1PKMALDH1A1CYP2C9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111606928-A Azacyclodiketone compound and preparation method thereof 维清生物科技(上海)有限公司 2020-09-01 CN disclosed
CN-111217810-A Azacyclodiketone compound and preparation method thereof 维清生物科技(上海)有限公司 2020-06-02 CN disclosed
US-5847126-A N-azinyl-N'-(het) arylsulphonyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5696257-A INTERMEDIATES FOR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5580842-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
US-5476936-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-12-19 US disclosed