SCHEMBL17635948

SCHEMBL17635948

CCN(C=O)c1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TDP1 Q9NUW8 4/20 0.56
CYP3A4 P08684 4/20 0.56
TSHR P16473 4/20 0.56
MAPK1 P28482 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
PSMD14 O00487 1/20 0.56
RECQL P46063 1/20 0.56
GFER P55789 1/20 0.56
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.41
ESRRG P62508 1/20 0.38

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
SCHEMBL16883820 0.81 TDP1 (0.54) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL6320611 0.80 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL11317650 0.80 CYP2A6 (0.46) ALDH1A1TDP1TSHRMAPK1ALDH3A1
SCHEMBL22524514 0.79 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL12643474 0.78 ESR1 (0.47) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL8420935 0.78 HSD17B10 (0.44) ALDH1A1CYP3A4ALOX15ALDH3A1ALDH1A3
SCHEMBL7158256 0.78 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL7158257 0.78 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL305842 0.77 TSHR (0.48) ALDH1A1TSHRMAPK1L3MBTL1TP53
SCHEMBL31116625 0.77 TSHR (0.48) ALDH1A1TSHRMAPK1L3MBTL1TP53

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
EP-3007214-A1 COMPOSITION FOR FORMING GATE INSULATING FILM, ORGANIC THIN FILM TRANSISTOR, ELECTRONIC PAPER, AND DISPLAY DEVICE Fujifilm Corporation (JP) 2016-04-13 EP disclosed
EP-3001472-A1 ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC THIN-FILM TRANSISTOR, ELECTRONIC PAPER, AND DISPLAY DEVICE Fujifilm Corporation (JP) 2016-03-30 EP disclosed