SCHEMBL9858842

SCHEMBL9858842

CSC(=S)CC(=O)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.47
HDAC3 O15379 5/20 0.47
HDAC4 P56524 5/20 0.47
HDAC7 Q8WUI4 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC10 Q969S8 5/20 0.47
HDAC11 Q96DB2 5/20 0.47
HDAC8 Q9BY41 5/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC9 Q9UKV0 5/20 0.47
HDAC5 Q9UQL6 5/20 0.47
RAPGEF3 O95398 2/20 0.38
NOTUM Q6P988 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
LMNA P02545 1/20 0.36
GPBAR1 Q8TDU6 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
SCHEMBL9859293 0.80 MEN1 (0.47) RAPGEF3NOTUMCYP1A2CYP2C19MRGPRX4
SCHEMBL24959794 0.79 NOTUM (0.42) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL9859767 0.79 GPBAR1 (0.42) RAPGEF3NOTUMCYP1A2CYP2C19MRGPRX4
SCHEMBL25403646 0.77 PLOD2 (0.41) HDAC1RAPGEF3NOTUMCYP1A2CYP2C19
SCHEMBL23112384 0.76 GSK3B (0.54) NOTUMMRGPRX4
SCHEMBL21995821 0.74 ERCC5 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL313146 0.74 KIF11 (0.54) HDAC6RAPGEF3NOTUMCYP1A2CYP2C19
SCHEMBL6578591 0.73 ALDH1A1 (0.50) HDAC1HDAC8HDAC6CYP1A2CYP2C19
SCHEMBL28144725 0.73 NOTUM (0.67) NOTUMCYP1A2CYP2C19MRGPRX4LMNA
SCHEMBL24400223 0.72 KMO (0.43) RAPGEF3NOTUMCYP1A2CYP2C19MRGPRX4

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-0153127-B1 N-ARYL-3-ARYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDES, PROCESSES FOR THEIR PRODUCTION, INSECTICIDAL COMPOSITIONS CONTAINING THEM AND METHODS FOR COMBATTING INSECTS ROHM AND HAAS COMPANY (US) 1991-04-03 EP disclosed
US-4863947-A PESTICIDES, INSECTICIDES ROHM AND HAAS (US) 1989-09-05 US disclosed
US-4663341-A Insecticidal n-aryl-3-aryl-4,5-dihydro-1h-pyrazole-1-carboxamides ROHM AND HAAS COMPANY (US) 1987-05-05 US disclosed
EP-0153127-A2 N-aryl-3-aryl-4,5-dihydro-1H-pyrazole-1-carboxamides, processes for their production, insecticidal compositions containing them and methods for combatting insects ROHM AND HAAS COMPANY (US) 1985-08-28 EP disclosed