SCHEMBL8674340

SCHEMBL8674340

CSc1c(N)cc(C(F)(F)F)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 2/20 0.42
ALDH1A1 P00352 5/20 0.40
GABRP O00591 7/20 0.39
GABRD O14764 7/20 0.39
GABRA1 P14867 7/20 0.39
GABRB1 P18505 7/20 0.39
GABRG2 P18507 7/20 0.39
GABRB3 P28472 7/20 0.39
GABRA5 P31644 7/20 0.39
GABRA3 P34903 7/20 0.39
GABRA2 P47869 7/20 0.39
GABRB2 P47870 7/20 0.39
GABRA4 P48169 7/20 0.39
GABRE P78334 7/20 0.39
GABRA6 Q16445 7/20 0.39
GABRG1 Q8N1C3 7/20 0.39
GABRG3 Q99928 7/20 0.39
GABRQ Q9UN88 7/20 0.39
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 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
SCHEMBL8677466 0.77 PTPN5 (0.39) PTPN5ALDH1A1KDM4EPKMHPGD
SCHEMBL8671708 0.77 PTPN5 (0.39) PTPN5ALDH1A1GABRPGABRDGABRA1
SCHEMBL8673787 0.74 ALDH1A1 (0.39) PTPN5ALDH1A1NOS3NOS2KDM4E
SCHEMBL13871750 0.73 PTPN5 (0.47) PTPN5ALDH1A1NOS3NOS2KDM4E
SCHEMBL8672164 0.72 ALDH1A1 (0.41) PTPN5ALDH1A1GABRPGABRDGABRA1
SCHEMBL3277186 0.72 SLC6A2 (0.50) ALDH1A1NOS3NOS2KDM4EPKM
SCHEMBL8675667 0.72 ALDH1A1 (0.38) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL27202379 0.72 ALDH1A1 (0.57) PTPN5ALDH1A1NOS3NOS2KDM4E
SCHEMBL8671775 0.71 AR (0.39) PTPN5ALDH1A1GABRA2GABRB2KDM4E
SCHEMBL24118128 0.70 PTPN5 (0.48) PTPN5ALDH1A1NOS3NOS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586660-B1 2-SULPHURED METAPHENYLENEDIAMINES FOR DYEING HAIR OREAL (FR) 1997-01-29 EP claimed
EP-0586660-A1 2-SULPHURED METAPHENYLENEDIAMINES FOR DYEING HAIR. OREAL (FR) 1994-03-16 EP claimed
WO-1993018739-A1 2-SULPHURED METAPHENYLENEDIAMINES FOR DYEING HAIR L'OREAL (FR) 1993-09-30 WO claimed
US-5710311-A 2-sulphured metaphenylenediamines for dyeing hair L'OREAL (FR) 1998-01-20 US disclosed
EP-0586660-B1 2-SULPHURED METAPHENYLENEDIAMINES FOR DYEING HAIR OREAL (FR) 1997-01-29 EP disclosed
US-5505741-A DYEING HAIR BY OXIDATION, RINSING, WASHING WITH SHAMPOO, RINSING AND DRYING L'OREAL (FR) 1996-04-09 US disclosed
EP-0586660-A1 2-SULPHURED METAPHENYLENEDIAMINES FOR DYEING HAIR. OREAL (FR) 1994-03-16 EP disclosed
WO-1993018739-A1 2-SULPHURED METAPHENYLENEDIAMINES FOR DYEING HAIR L'OREAL (FR) 1993-09-30 WO disclosed
US-4327204-A Process for producing polyurethane elastomer by mixing a hardener composition with an isocyanate composition IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1982-04-27 US disclosed