SCHEMBL9722811

SCHEMBL9722811

Nc1snc2ccc(C(F)(F)F)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
SCN4A P35499 1/20 0.47
BACE1 P56817 1/20 0.46
CCNE2 O96020 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
KDM4E B2RXH2 2/20 0.39
KIF11 P52732 3/20 0.38
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
MPL P40238 2/20 0.36
MAP2K4 P45985 2/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPKAPK3 Q16644 1/20 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
SCHEMBL9722807 0.72 HTT (0.44) BACE1
SCHEMBL9722805 0.72 NR4A2 (0.47) BACE1KDM4EMAPK1ALDH1A1PKM
SCHEMBL23458524 0.70 CACNA1H (0.38) MKNK1MKNK2NOS3NOS2PTPN5
SCHEMBL5027281 0.68 MAP4K4 (0.54)
SCHEMBL29728013 0.68 MAP4K4 (0.54)
SCHEMBL5314200 0.68 NR4A2 (0.56) EPHX2SCN4ABACE1CDK2MKNK2
SCHEMBL14666984 0.67 KDM4E (0.48) EPHX2SCN4ABACE1CCNE2CCNA2
SCHEMBL29742208 0.67 BACE1 (0.45) EPHX2SCN4ABACE1CCNE2CCNA2
SCHEMBL7572616 0.67 BACE1 (0.45) EPHX2SCN4ABACE1CCNE2CCNA2
SCHEMBL23935164 0.67 BACE1 (0.45) EPHX2SCN4ABACE1CCNE2CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120872-A Textile dyeing CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP disclosed