SCHEMBL9538669

SCHEMBL9538669

Cc1c(Cl)cccc1C(=S)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
MT-CO2 P00403 1/20 0.42
TTR P02766 1/20 0.42
PLA2G1B P04054 1/20 0.42
CYP1A2 P05177 1/20 0.42
PGR P06401 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTR2A P28223 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL9568960 0.83 LMNA (0.46) ALDH1A1LMNAHPGDMAPTMEN1
SCHEMBL14800383 0.81 ALDH1A1 (0.48) ALDH1A1LMNAHPGDMAPTMEN1
SCHEMBL9538691 0.80 TRPA1 (0.44) ALDH1A1LMNAHPGDMAPTMEN1
SCHEMBL108670 0.78 ALDH1A1 (0.52) ALDH1A1LMNAHPGDMAPTMEN1
SCHEMBL16954728 0.77 ALDH1A1 (0.48) ALDH1A1LMNAHPGDMAPTMEN1
SCHEMBL9539597 0.77 ESR1 (0.44) ALDH1A1HPGDMAPTTAS1R3TAS1R1
SCHEMBL6070107 0.77 CES2 (0.54) ALDH1A1LMNAHPGDCYP1A2CYP2C19
Ethylene SCHEMBL28813674 0.76 LMNA (0.40) ALDH1A1LMNAHPGDMAPTMEN1
SCHEMBL11080512 0.76 MAPT (0.51) ALDH1A1LMNAHPGDMAPTMEN1
SCHEMBL9442651 0.74 ALDH1A1 (0.45) ALDH1A1LMNAHPGDMAPTMEN1

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
WO-1993002077-A1 BENZIMIDAZOLES FISONS PLC (GB) 1993-02-04 WO disclosed
EP-0526033-A1 Benzimidazoles FISONS plc (GB) 1993-02-03 EP disclosed