SCHEMBL27650413

SCHEMBL27650413

O=C(O)Nc1ccc2c(c1)CCN2Cc1ccc(Cl)s1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.48
EPHX2 P34913 12/20 0.46
KCNT1 Q5JUK3 1/20 0.45
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHRNA7 P36544 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL30795538 0.87 ALOX5 (0.49) ALOX5EPHX2KCNT1
SCHEMBL3102218 0.87 ALOX5 (0.49) ALOX5EPHX2KCNT1
SCHEMBL30794532 0.87 RAB9A (0.46) ALOX5EPHX2KCNT1MEN1ALDH1A1
SCHEMBL30794871 0.86 ALOX5 (0.53) ALOX5EPHX2KCNT1HDAC6
SCHEMBL3099601 0.86 CYP2D6 (0.47) ALOX5EPHX2KCNT1MEN1ALDH1A1
SCHEMBL3106532 0.86 ALOX5 (0.53) ALOX5EPHX2KCNT1HDAC6
SCHEMBL30795509 0.86 CYP2D6 (0.47) ALOX5EPHX2KCNT1MEN1ALDH1A1
SCHEMBL30794759 0.85 ALOX5 (0.49) ALOX5EPHX2KCNT1MEN1ALDH1A1
SCHEMBL3106521 0.85 ALOX5 (0.52) ALOX5EPHX2KCNT1HDAC6MEN1
SCHEMBL30814227 0.85 ALOX5 (0.50) ALOX5EPHX2KCNT1HDAC6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101790374-A Use of kncq potassium channel openers for reducing symptoms of or treating disorders or conditions wherein the dopaminergic system is disrupted LUNDBECK & CO AS H 2010-07-28 CN claimed
CN-101790374-A Use of kncq potassium channel openers for reducing symptoms of or treating disorders or conditions wherein the dopaminergic system is disrupted LUNDBECK & CO AS H 2010-07-28 CN disclosed
CN-1777582-A Substituted indoline and indole derivatives LUNDBECK & CO AS H (DK) 2006-05-24 CN disclosed