SCHEMBL9755852

SCHEMBL9755852

CSOC(=S)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1B1 P15121 1/20 0.40
MGLL Q99685 3/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 4/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL7324968 0.77 ALDH1A1 (0.45) IDO1CES2CES1AKR1B1TSHR
SCHEMBL3251246 0.73 ALDH1A1 (0.44) CES2CES1AKR1B1TSHRALDH1A1
SCHEMBL10478372 0.72 IDO1 (0.57) IDO1CES2CES1AKR1B1MGLL
SCHEMBL27791495 0.72 TSHR (0.61) CES2CES1AKR1B1TSHRMAPK1
SCHEMBL29185461 0.72 CA12 (0.41) CES2CES1AKR1B1TSHRALDH1A1
SCHEMBL3048337 0.71 ALDH1A1 (0.59) IDO1CES2CES1AKR1B1TSHR
SCHEMBL4804794 0.69 CES2 (0.50) IDO1CES2CES1AKR1B1MGLL
SCHEMBL29463895 0.68 ALDH1A1 (0.47) CES2CES1AKR1B1TSHRALDH1A1
SCHEMBL10402623 0.68 CES1 (0.45) CES2CES1AKR1B1TSHRALDH1A1
SCHEMBL19953580 0.68 CES2 (0.40) CES2CES1AKR1B1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234944-B1 INSECTICIDAL N'-SUBSTITUTED-N-ACYL-N'-ALKYLCARBONYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-04-10 EP disclosed
EP-0232075-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1991-03-13 EP disclosed
EP-0234944-A1 Insecticidal N'-substituted-N-acyl-N'-alkylcarbonylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-02 EP disclosed
EP-0232075-A1 Insecticidal N'-substituted-N-alkylcarbonyl-N'-acyl hydrazines ROHM AND HAAS COMPANY (US) 1987-08-12 EP disclosed