SCHEMBL9846170

SCHEMBL9846170

CCc1cnccc1CCCCC(C)Br

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 4/20 0.35
CYP2C8 P10632 4/20 0.35
CYP2D6 P10635 4/20 0.35
CYP2A6 P11509 4/20 0.35
CYP2B6 P20813 4/20 0.35
CYP2C19 P33261 4/20 0.35
AOC1 P19801 3/20 0.33
AOC3 Q16853 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2C9 P11712 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 1/20 0.32
TBXAS1 P24557 5/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31

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
SCHEMBL9846116 0.84 L3MBTL1 (0.37) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL9846235 0.84 CYP2E1 (0.35) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL9820954 0.78 TDP1 (0.49) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL27335859 0.78 AOC1 (0.41) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL10435113 0.78 TDP1 (0.49) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL9846289 0.75 CYP2E1 (0.39) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL9588426 0.75 RIPK1 (0.38) L3MBTL1TBXAS1LMNASMN1; SMN2
SCHEMBL9846259 0.74 CYP2E1 (0.36) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL9588340 0.74 TDP1 (0.49) L3MBTL1TDP1TBXAS1
SCHEMBL8271491 0.74 CYP2E1 (0.49) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6

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-0424538-A1 PYRIDINE DERIVATIVES AND THEIR SALTS, AND INSECTICIDAL/ACARICIDAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-05-02 EP disclosed