SCHEMBL11660612

SCHEMBL11660612

O=C1NC(=O)c2c1c(SCl)cc1ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 5/20 0.38
▸ CCND1 P24385 5/20 0.38
▸ CDK5 Q00535 3/20 0.37
▸ CDK5R1 Q15078 3/20 0.37
▸ GSK3B P49841 3/20 0.37
▸ GSK3A P49840 2/20 0.37
▸ CCNE2 O96020 3/20 0.37
▸ CCNE1 P24864 3/20 0.37
▸ CDK2 P24941 3/20 0.37
▸ CCNB2 O95067 2/20 0.37
▸ PRKCG P05129 2/20 0.37
▸ PRKCB P05771 2/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ CCNB1 P14635 2/20 0.37
▸ PRKCA P17252 2/20 0.37
▸ CAMK2B Q13554 2/20 0.37
▸ CAMK2G Q13555 2/20 0.37
▸ CAMK2D Q13557 2/20 0.37
▸ CCNB3 Q8WWL7 2/20 0.37
▸ CAMK2A Q9UQM7 2/20 0.37

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
SCHEMBL17045729 0.81 MAOA (0.44) CDK4CCND1CDK5CDK5R1GSK3B
SCHEMBL6848266 0.77 CDK4 (0.42) CDK4CCND1CDK5CDK5R1GSK3B
SCHEMBL1889878 0.74 PARP1 (0.55) CDK4CCND1CDK5CDK5R1GSK3B
SCHEMBL1756365 0.74 TRPM4 (0.48) CDK4CCND1CDK5CDK5R1GSK3B
SCHEMBL339346 0.74 GAA (0.41) CDK4CCND1CDK5CDK5R1GSK3B
SCHEMBL3852137 0.74 CDK4 (0.44) CDK4CCND1CDK5CDK5R1GSK3B
SCHEMBL789452 0.72 TRPM4 (0.47) CDK4CCND1CDK5CDK5R1GSK3B
SCHEMBL1323425 0.72 CASP6 (0.53) GSK3BCDK2MAPTALDH1A1PARP1
SCHEMBL856132 0.71 CDK4 (0.39) CDK4CCND1CDK5CDK5R1GSK3B
SCHEMBL7767469 0.71 MEN1 (0.50) CDK4PRKCGPRKCBPRKCAMAPT

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-3998841-A CHLOROTHIO-N-PHTHALIMIDE AND PROCESS THEREFOR BAYER AKTIENGESELLSCHAFT (DT) 1976-12-21 — — US claimed
US-4080399-A REACTING N-CHLOROTHIOPHTHALIMIDE WITH UNSATURATED COMPOUNDS BAYER AKTIENGESELLSCHAFT (DT) 1978-03-21 — — US disclosed
US-3998841-A CHLOROTHIO-N-PHTHALIMIDE AND PROCESS THEREFOR BAYER AKTIENGESELLSCHAFT (DT) 1976-12-21 — — US disclosed
US-3998841-A CHLOROTHIO-N-PHTHALIMIDE AND PROCESS THEREFOR BAYER AKTIENGESELLSCHAFT (DT) 1976-12-21 — — US disclosed
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