SCHEMBL20193405

SCHEMBL20193405

CNc1cccc(NC=O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PABPC1 P11940 2/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
EGFR P00533 1/20 0.36
MAPK1 P28482 1/20 0.36
ESR2 Q92731 1/20 0.35
KDM4E B2RXH2 3/20 0.34
POLB P06746 3/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5514299 0.91 TSHR (0.44) TSHRCYP3A4CYP2D6PABPC1ALDH1A1
SCHEMBL9801566 0.82 MAPT (0.46) TSHRCYP3A4PABPC1ALDH1A1L3MBTL1
SCHEMBL4776892 0.81 KEAP1 (0.52) TSHRCYP3A4CYP2D6ALDH1A1L3MBTL1
SCHEMBL20862121 0.80 TSHR (0.47) TSHRPABPC1ALDH1A1L3MBTL1MAPT
SCHEMBL8952057 0.78 TSHR (0.38) TSHRCYP3A4CYP2D6PABPC1ALDH1A1
SCHEMBL13893584 0.78 CYP3A4 (0.50) TSHRCYP3A4CYP2D6PABPC1ALDH1A1
SCHEMBL8952161 0.78 TSHR (0.38) TSHRCYP3A4CYP2D6PABPC1ALDH1A1
SCHEMBL2092487 0.78 SMN1; SMN2 (0.46) TSHRPABPC1ALDH1A1MAPTRAB9A
SCHEMBL2099073 0.78 MAPT (0.51) CYP3A4ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL5530538 0.78 CYP3A4 (0.50) TSHRCYP3A4CYP2D6PABPC1ALDH1A1

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
US-9985155-B2 Backsheet for photovoltaic modules AGFA-GEVAERT (BE) 2018-05-29 US disclosed