SCHEMBL8765014

SCHEMBL8765014

CCCCc1ccncc1[O]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2E1 P05181 3/20 0.38
CYP2C8 P10632 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2A6 P11509 3/20 0.38
CYP2B6 P20813 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2C9 P11712 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 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
SCHEMBL8765675 0.85 TDP1 (0.42) L3MBTL1TDP1GABRPGABRDGABRA1
SCHEMBL9587868 0.82 TDP1 (0.46) L3MBTL1TDP1CYP2E1CYP2C8CYP2D6
SCHEMBL2098173 0.79 TDP1 (0.41) L3MBTL1TDP1CYP2E1CYP2C8CYP2D6
SCHEMBL18924363 0.78 TDP1 (0.43) L3MBTL1TDP1CYP2E1CYP2C8CYP2D6
SCHEMBL20643181 0.78 CYP2D6 (0.46) L3MBTL1TDP1CYP2E1CYP2C8CYP2D6
SCHEMBL7253760 0.77 L3MBTL1 (0.42) L3MBTL1TDP1CYP2E1CYP2C8CYP2D6
SCHEMBL25774612 0.77 TYR (0.52) L3MBTL1TDP1CYP2E1CYP2C8CYP2D6
SCHEMBL22511907 0.77 TDP1 (0.42) L3MBTL1TDP1CYP2E1CYP2C8CYP2D6
SCHEMBL26014137 0.77 L3MBTL1 (0.42) L3MBTL1TDP1CYP2E1CYP2C8CYP2D6
SCHEMBL250163 0.77 TDP1 (0.39) L3MBTL1TDP1CYP2E1CYP2C8CYP2D6

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
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed