SCHEMBL9700700

SCHEMBL9700700

CCc1cc(N(C=O)c2ccccc2)cc(CC)c1N=C=S

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.51
GABRB2 P47870 2/20 0.51
MIF P14174 1/20 0.33
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL9700892 0.82 GABRA1 (0.32) GABRA1GABRB2
SCHEMBL9700902 0.76 POLB (0.36) ALDH1A1POLB
SCHEMBL9456616 0.72 GABRA1 (0.59) GABRA1GABRB2MIFALDH1A1
SCHEMBL1457256 0.69 GABRA1 (1.00) GABRA1GABRB2MIFALDH1A1POLB
SCHEMBL43388 0.69 ALDH1A1 (0.42) ALDH1A1POLB
SCHEMBL5516786 0.69 ALDH1A1 (0.42) ALDH1A1POLB
SCHEMBL11421561 0.68 GABRA1 (0.62) GABRA1GABRB2ALDH1A1
SCHEMBL11421497 0.68 GABRA1 (0.62) GABRA1GABRB2ALDH1A1
SCHEMBL9701957 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9700587 0.67 ALDH1A1 (0.40) ALDH1A1POLB

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
US-5114975-A Insecticides and miticides CIBA-GEIGY CORPORATION (US) 1992-05-19 US disclosed
EP-0304402-B1 ANILINOPHENYL THIOUREAS, ISOTHIOUREAS AND CARBODIIMIDES, THEIR PREPARATION AND THEIR USE IN PEST-CONTROL CIBA-GEIGY AG (CH) 1992-05-06 EP disclosed
US-5026730-A Anilinophenylthioureas, compositions containing them, and the use thereof in pest control CIBA-GEIGY CORPORATION (US) 1991-06-25 US disclosed
EP-0304402-A2 Anilinophenyl thioureas, isothioureas and carbodiimides, their preparation and their use in pest-control CIBA-GEIGY AG (CH) 1989-02-22 EP disclosed