SCHEMBL18430438

SCHEMBL18430438

COC(=O)c1scc(C#N)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
KDM4E B2RXH2 5/20 0.40
RXFP1 Q9HBX9 5/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL5474697 0.85 ALDH1A1 (0.47) GAAMAPK8MAPK9MAPK10KDM4E
SCHEMBL15417508 0.81 GPR35 (0.47) NPSR1GAAKDM4ERXFP1PKM
SCHEMBL18430510 0.81 GPR35 (0.37) NPSR1GAAMAPK8MAPK9MAPK10
SCHEMBL9097371 0.81 KDM4E (0.53) NPSR1GAAMAPK8MAPK9MAPK10
SCHEMBL31062581 0.80 GAA (0.49) NPSR1GAAMAPK8MAPK9MAPK10
SCHEMBL12429306 0.79 NPSR1 (0.49) NPSR1GAAMAPK8MAPK9MAPK10
SCHEMBL167302 0.77 MAPT (0.51) GAAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL1922088 0.76 MAPK8 (0.40) NPSR1GAAMAPK8MAPK9MAPK10
SCHEMBL24210733 0.76 MAPT (0.43) GAAKDM4EMAPTSMN1; SMN2PKM
SCHEMBL1529989 0.76 MAPT (0.46) KDM4EMAPTALDH1A1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10655091-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2020-05-19 US disclosed
US-20190345415-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2019-11-14 US disclosed
US-10435651-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2019-10-08 US disclosed
US-20180066215-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2018-03-08 US disclosed
US-9752104-B2 Thiophene AZO carboxylate dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2017-09-05 US disclosed
US-9567465-B2 Thiophene azo carboxylate dyes and laundry care compositions containing the same MILLIKEN & COMPANY (US) 2017-02-14 US disclosed
US-9556337-B2 Thiophene azo dyes and laundry care compositions containing the same MILLIKEN & COMPANY (US) 2017-01-31 US disclosed