SCHEMBL16139552

SCHEMBL16139552

O=C(N=C(Nc1ccccc1)Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.54
TP53 P04637 1/20 0.54
EPHX1 P07099 1/20 0.54
TSHR P16473 1/20 0.54
CDK9 P50750 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
NAPRT Q6XQN6 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTPN1 P18031 2/20 0.48
CYP1A2 P05177 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TGM2 P21980 1/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL27590292 0.84 TP53 (0.56) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL2740880 0.81 HSD17B10 (0.59) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL10457010 0.79 EPHX2 (0.61) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL11650361 0.79 EPHX2 (0.61) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL24746975 0.79 GRIN2D (0.55) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL3175598 0.77 SMN1; SMN2 (0.58) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL2740899 0.76 TP53 (0.47) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL2740898 0.76 EPHX1 (0.65) EPHX2EPHX1SMN1; SMN2NPSR1GAA
SCHEMBL897272 0.76 HSD17B10 (0.58) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL5313666 0.76 SMN1; SMN2 (0.56) EPHX2TP53EPHX1TSHRCDK9

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-20140295332-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD, EACH USING THE SAME FUJIFILM CORPORATION (JP) 2014-10-02 US disclosed
US-20140295332-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD, EACH USING THE SAME FUJIFILM CORPORATION (JP) 2014-10-02 US disclosed