SCHEMBL9722740

SCHEMBL9722740

CC1(C)CC(=O)c2s[c]c(C#N)c2C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.33
POLB P06746 2/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3762032 0.67 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL3762149 0.67 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL4513958 0.65 GABRG2 (0.46) ALDH1A1POLBHSD17B10LMNA
SCHEMBL7461853 0.61 GABRG2 (0.38) ALDH1A1MEN1KMT2AHPGDCASP1
SCHEMBL14034442 0.60 GABRG2 (0.34) POLBLMNA
SCHEMBL11910045 0.60 ALDH1A1 (0.40) ALDH1A1POLBHTTKDM4EPIK3CD
SCHEMBL2324941 0.60
SCHEMBL7460232 0.59 MEN1 (0.52) ALDH1A1MEN1KMT2AHPGDPOLB
SCHEMBL4918827 0.58 GABRG2 (0.52) POLBLMNA
SCHEMBL7462637 0.58 LRRK2 (0.34) ALDH1A1KMT2AHPGDCASP1HTT

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