SCHEMBL13205331

SCHEMBL13205331

Cc1cc(/N=N\c2cccc(NC=O)c2)cc2c(C)cccc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLO1 Q04760 1/20 0.32
BRD4 O60885 3/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
LIMK1 P53667 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28615947 0.81 ALDH1A1 (0.52) ALDH1A1LIMK1TSHRTDP1
SCHEMBL28257844 0.69 ALDH1A1 (0.50) ALDH1A1LIMK1CYP3A4TSHRTDP1
SCHEMBL12129057 0.66 ALDH1A1 (0.67) CYP1A2ALDH1A1LIMK1TP53CYP3A4
SCHEMBL29960043 0.65 ALDH1A1 (0.54) CYP1A2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL1172185 0.65 ALDH1A1 (0.54) CYP1A2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL10134024 0.62 TDP1 (0.55) ALDH1A1GLO1TP53CYP3A4TSHR
SCHEMBL24510844 0.62 ALDH1A1 (0.54) CYP1A2ALDH1A1BRD4LIMK1CYP3A4
SCHEMBL4098066 0.62 ALDH1A1 (0.54) CYP2A6ALDH1A1BRD4TRIM24TRIM33
SCHEMBL4411407 0.61 TSHR (0.46) ALDH1A1BRD4TSHRSMN1; SMN2TDP1
SCHEMBL4411408 0.61 TSHR (0.46) ALDH1A1BRD4TSHRSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776504-B2 Dye-containing resist composition and color filter using same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-17 US disclosed
US-7749664-B2 Dye-containing resist composition and color filter using same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-07-06 US disclosed