SCHEMBL9501656

SCHEMBL9501656

CCN(CCOc1ccc(N=Nc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.54
CHRNA10 Q9GZZ6 1/20 0.54
CHRNA9 Q9UGM1 1/20 0.54
PPARA Q07869 5/20 0.47
LTA4H P09960 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
PPARG P37231 3/20 0.42
PPARD Q03181 2/20 0.42
LSS P48449 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL22384790 0.87 LTA4H (0.44) CHRNA7CHRNA10CHRNA9PPARALTA4H
SCHEMBL8047466 0.86 LTA4H (0.51) CHRNA7LTA4HCYP2D6CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL10620816 0.84 LTA4H (0.50) CHRNA7LTA4HCYP2D6CYP1A2CYP2C9
SCHEMBL11674918 0.83 LTA4H (0.49) LTA4HCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL10529326 0.83 TSHR (0.55) LTA4HCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL11677403 0.83 LSS (0.57) CHRNA7LTA4HCYP2D6CYP1A2CYP2C9
SCHEMBL10530995 0.83 LTA4H (0.63) LTA4HCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL11678365 0.82 KMT2A (0.49) LTA4HCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL11217525 0.82 TDP1 (0.50) LTA4HCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL17858645 0.82 ALDH1A1 (0.47) CHRNA7CHRNA10CHRNA9TDP1ALDH1A1

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
EP-0271444-B1 DISPERSE DYES CIBA-GEIGY AG (CH) 1993-04-28 EP disclosed
US-5037967-A Monoazo couplers for disperse dyes CIBA-GEIGY CORPORATION (US) 1991-08-06 US disclosed
US-4910299-A Azo group attached to phenyl ring CIBA-GEIGY CORPORATION (US) 1990-03-20 US disclosed
EP-0271444-A2 Disperse dyes CIBA-GEIGY AG (CH) 1988-06-15 EP disclosed