SCHEMBL18499653

SCHEMBL18499653

COC(=O)c1csc(-c2cccnn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ GABRG2 P18507 2/20 0.40
▸ GABRB3 P28472 2/20 0.40
▸ GABRA5 P31644 2/20 0.40
▸ GABRA3 P34903 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ KDM6B O15054 1/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ KDM2A Q9Y2K7 1/20 0.38
▸ KDM3A Q9Y4C1 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KMT2A Q03164 4/20 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
SCHEMBL18430442 0.82 KDM4E (0.48) ALDH1A1ALOX15HTTKDM4EKDM6B
SCHEMBL29473506 0.77 CA1 (0.48) ALDH1A1ALOX15HTTKDM4EMAPT
SCHEMBL5563553 0.75 GABRG2 (0.63) ALDH1A1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17201603 0.75 KDM4E (0.45) ALDH1A1KDM4EMAPTTSHRMAPK1
SCHEMBL27677394 0.75 CYP46A1 (0.47) ALDH1A1KDM4EMAPTMAPK1HDAC6
SCHEMBL15997961 0.75 ALDH1A1 (0.49) ALDH1A1GABRG2GABRB3GABRA5GABRA3
SCHEMBL937382 0.73 JMJD6 (0.57) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL2454052 0.73 TSHR (0.53) ALDH1A1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12571459 0.72 ACHE (0.54) ALDH1A1MAPTPOLBKMT2AHDAC6
SCHEMBL28603205 0.71 SLC6A3 (0.53) ALDH1A1HTTKDM4EMAPTPOLB

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 6 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
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