SCHEMBL11041484

SCHEMBL11041484

CCn1c(N)nc(C#N)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9360106 0.81 CSNK2A1 (0.31) KDM4EMEN1ALDH1A1LMNATP53
SCHEMBL12112425 0.78 KDM4E (0.33) CYP1A2KDM4EALDH1A1LMNAHSD17B10
SCHEMBL11665494 0.76
SCHEMBL11665498 0.76
SCHEMBL5959205 0.75 TDP1 (0.43) CYP1A2TSHRKDM4EMEN1ALDH1A1
SCHEMBL7219382 0.74 KDM4E (0.31) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7219374 0.73
SCHEMBL14839377 0.73 PNP (0.42) HTTTSHRMEN1ALDH1A1KMT2A
SCHEMBL7213216 0.72
SCHEMBL11306446 0.71

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-4456668-A DYE BLEACH, TEXTILE DYES CIBA GEIGY AG (CH) 1984-06-26 US disclosed
EP-0040171-B1 AZO DYESTUFFS, METHODS FOR THEIR PREPARATION AND THEIR USE AS COLOURING AGENTS IN THE SILVER DYESTUFF BLEACHING PROCESS CIBA-GEIGY AG (CH) 1984-03-21 EP disclosed
US-4409143-A TEXTILES, PHOTOGRAPHY CIBA-GEIGY AG (CH) 1983-10-11 US disclosed
EP-0040171-A2 Azo dyestuffs, methods for their preparation and their use as colouring agents in the silver dyestuff bleaching process CIBA-GEIGY AG (CH) 1981-11-18 EP disclosed