SCHEMBL4286719

SCHEMBL4286719

NC(CCOc1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 7/20 0.68
KCNA3 P22001 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
SLC2A1 P11166 1/20 0.49
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.48
LTA4H P09960 1/20 0.47
PLA2G2A P14555 1/20 0.47

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
SCHEMBL11418016 0.87 SCN4A (0.53) SCN4ASLC2A1ALDH1A1
Hydrochloric Acid SCHEMBL11420822 0.86 SLC2A1 (0.53) SCN4ASLC2A1ALDH1A1
Hydrochloric Acid SCHEMBL11419419 0.86 SLC2A1 (0.53) SCN4ASLC2A1ALDH1A1
SCHEMBL11431636 0.83 SLC6A4 (0.55) SCN4AALDH1A1
SCHEMBL11420814 0.83 MAOB (0.53) SCN4ATAAR1ALDH1A1RECQL
SCHEMBL28394252 0.82 KDM4E (0.56) SCN4AALDH1A1
Hydrochloric Acid SCHEMBL11418380 0.82 MAOB (0.51) SCN4ATAAR1ALDH1A1RECQL
SCHEMBL4345367 0.81 SCN4A (1.00) SCN4A
SCHEMBL12847267 0.81 SCN4A (1.00) SCN4A
SCHEMBL8326927 0.81 SCN4A (0.50) SCN4AKCNA3TAAR1SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009153238-A1 AMINOTHIAZOLINE COMPOUNDS FOR COMBATING INSECTS, ARACHNIDS AND NEMATODES BASF SE (DE) 2009-12-23 WO disclosed
US-4207343-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1980-06-10 US disclosed