SCHEMBL11779488

SCHEMBL11779488

NCCc1csc(CCN)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.52
TAAR1 Q96RJ0 1/20 0.50
HDAC1 Q13547 13/20 0.42
HDAC6 Q9UBN7 13/20 0.42
AOC3 Q16853 1/20 0.37
NOS1 P29475 1/20 0.36
HRH1 P35367 1/20 0.34

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
SCHEMBL2643234 0.89 LOXL2 (0.42) LOXL2TAAR1HDAC1HDAC6AOC3
SCHEMBL3956722 0.85 LOXL2 (0.47) LOXL2TAAR1HDAC1HDAC6AOC3
SCHEMBL2643232 0.85 LOXL2 (0.40) LOXL2TAAR1HDAC1HDAC6AOC3
Bromide SCHEMBL4084010 0.84 LOXL2 (0.46) LOXL2TAAR1HDAC1HDAC6AOC3
SCHEMBL19668321 0.81 LOXL2 (0.44) LOXL2TAAR1HDAC1HDAC6AOC3
SCHEMBL2643105 0.80
SCHEMBL8222179 0.78 LOXL2 (0.57) LOXL2TAAR1HDAC1HDAC6NOS1
SCHEMBL17261564 0.77
SCHEMBL307817 0.77
SCHEMBL20668996 0.76 LOXL2 (0.37) LOXL2TAAR1HDAC1HDAC6AOC3

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
US-3940441-A BACTERICIDE STERLING DRUG INC. (US) 1976-02-24 US disclosed