SCHEMBL10508282

SCHEMBL10508282

O=c1[nH]ncc2cc(/C=C/c3ccc(Cl)cc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
PARP1 P09874 1/20 0.46
PRKCI P41743 1/20 0.46
PDE4B Q07343 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AHR P35869 1/20 0.43
DAO P14920 1/20 0.43
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42

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
SCHEMBL10508284 1.00 ALDH1A1 (0.46) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL10509195 0.87 ALDH1A1 (0.56) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL10509204 0.87 ALDH1A1 (0.56) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL10508782 0.85 ALDH1A1 (0.46) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL10508774 0.85 ALDH1A1 (0.46) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL10507290 0.85 TDP1 (0.46) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL10507302 0.85 TDP1 (0.46) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL10511338 0.85 TDP1 (0.46) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL11038688 0.84 NFE2L2 (0.44) ALDH1A1HSD17B10XDHNPC1RAB9A
SCHEMBL11038692 0.84 NFE2L2 (0.44) ALDH1A1HSD17B10XDHNPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0164593-B1 ANTI-INFLAMMATORY PHTHALAZINONES FISONS CORPORATION (US) 1989-11-15 EP disclosed
EP-0213006-B1 DERIVATIVES OF 2,3-DIHYDRO-BENZOFURANE, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1989-01-25 EP disclosed
US-4665181-A Anti-inflammatory phthalazinones PENNWALT CORPORATION (US) 1987-05-12 US disclosed
EP-0213006-A1 Derivatives of 2,3-dihydro-benzofurane, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1987-03-04 EP disclosed
EP-0164593-A1 Anti-inflammatory phthalazinones FISONS CORPORATION (US) 1985-12-18 EP disclosed