SCHEMBL14424481

SCHEMBL14424481

CCCCCNC(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.97

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 12/20 0.97
ALDH1A1 P00352 2/20 0.67
HTT P42858 1/20 0.67
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
LMNA P02545 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
EPHX2 P34913 4/20 0.60
MAPT P10636 2/20 0.56
GHSR Q92847 1/20 0.55

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
SCHEMBL12196033 0.99 EPHX1 (1.00) EPHX1ALDH1A1HTTNPC1RAB9A
SCHEMBL14424451 0.96 EPHX1 (0.89) EPHX1ALDH1A1HTTNPC1RAB9A
SCHEMBL14423982 0.90 EPHX1 (0.79) EPHX1ALDH1A1HTTNPC1RAB9A
SCHEMBL15975495 0.85 EPHX1 (0.79) EPHX1ALDH1A1HTTNPC1RAB9A
SCHEMBL12196199 0.83 EPHX1 (1.00) EPHX1ALDH1A1HTTNPC1RAB9A
SCHEMBL13480580 0.83 EPHX1 (0.69) EPHX1ALDH1A1NPC1RAB9ALMNA
SCHEMBL6438910 0.82 EPHX1 (0.83) EPHX1ALDH1A1HTTEPHX2MAPT
SCHEMBL6270335 0.82 EPHX1 (0.67) EPHX1ALDH1A1HTTNPC1RAB9A
SCHEMBL7722626 0.82 EPHX1 (0.97) EPHX1ALDH1A1HTTLMNAEPHX2
SCHEMBL11034317 0.81 EPHX1 (0.84) EPHX1ALDH1A1HTTLMNAEPHX2

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-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed