SCHEMBL11208013

SCHEMBL11208013

CCCCCCn1cc(O)c(C)c(C#N)c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.44
KDM4E B2RXH2 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
GRM2 Q14416 3/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CASP1 P29466 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL11131096 1.00 TYR (0.44) TYRKDM4EMEN1KMT2AGRM2
SCHEMBL11216542 1.00 TYR (0.44) TYRKDM4EMEN1KMT2AGRM2
SCHEMBL11211380 0.94 TYR (0.50) TYRKDM4EMEN1KMT2AGRM2
SCHEMBL11211118 0.88 TYR (0.47) TYRKDM4EMEN1KMT2AGRM2
SCHEMBL8821197 0.82 ALDH1A1 (0.47) TYRKDM4EMEN1KMT2AMAPT
SCHEMBL621548 0.79 KDM4E (0.39) TYRKDM4EMEN1KMT2AGRM2
SCHEMBL7773778 0.79 KDM4E (0.38) KDM4EMEN1KMT2AGRM2MAPT
SCHEMBL11214719 0.77 KDM4E (0.48) KDM4EMEN1KMT2AGRM2MAPT
SCHEMBL11212583 0.74 KDM4E (0.45) KDM4EMEN1KMT2AMAPTHSD17B10
SCHEMBL30982387 0.73 TYR (0.42) TYRMEN1KMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0085823-A1 Dye mixture, process for its preparation and its use in dyeing and printing hydrophobic textile material CIBA-GEIGY AG (CH) 1983-08-17 EP disclosed