SCHEMBL21244264

SCHEMBL21244264

C=Cc1cc(F)cc2c(C)cccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.41
CYP2A6 P11509 3/20 0.41
ALDH1A1 P00352 2/20 0.36
PARP1 P09874 1/20 0.36
FLT3 P36888 1/20 0.35
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACHE P22303 2/20 0.32
EGFR P00533 1/20 0.32
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
F2RL1 P55085 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6562421 0.77 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1PARP1HPGD
SCHEMBL9694530 0.75 CYP1A2 (0.50) CYP1A2CYP2A6ALDH1A1PARP1FLT3
SCHEMBL19602299 0.71 F2RL1 (0.42) CYP1A2CYP2A6ALDH1A1PARP1ACHE
SCHEMBL28165077 0.71 ELANE (0.38) ALDH1A1PARP1HPGDTP53TDP1
SCHEMBL29637865 0.69 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1PARP1HPGD
SCHEMBL943891 0.69 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1PARP1HPGD
SCHEMBL11697028 0.69 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL19660430 0.69 CYP1A2 (0.43) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL31544570 0.69 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL7542304 0.69 ALDH1A1 (0.38) CYP1A2CYP2A6ALDH1A1TP53TDP1

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-20190250510-A1 PHOTOSENSITIVE COMPOSITION AND ORGANIC THIN-FILM TRANSISTOR SUMITOMO CHEMICAL COMPANY, LIMITED. (JP) 2019-08-15 US disclosed
US-20190250509-A1 PHOTOSENSITIVE COMPOSITION AND ORGANIC THIN-FILM TRANSISTOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-08-15 US disclosed