SCHEMBL393680

SCHEMBL393680

O=C(CCc1c[nH]c2ccccc12)N/N=C/c1ccc(Cl)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.83
MAPT P10636 9/20 0.76
MEN1 O00255 6/20 0.76
KMT2A Q03164 6/20 0.76
ALDH1A1 P00352 6/20 0.76
KDM4E B2RXH2 2/20 0.76
GFER P55789 1/20 0.76
POLB P06746 3/20 0.68
THRB P10828 1/20 0.68
LMNA P02545 2/20 0.63
GAA P10253 3/20 0.60
NPSR1 Q6W5P4 1/20 0.60
BRS3 P32247 1/20 0.57
HTT P42858 2/20 0.56
HCRTR1 O43613 1/20 0.56
GLA P06280 1/20 0.54
HPGD P15428 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SIRT1 Q96EB6 1/20 0.53

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
SCHEMBL393675 0.91 FAAH (1.00) FAAHMAPTMEN1KMT2AALDH1A1
SCHEMBL395281 0.89 FAAH (0.83) FAAHMAPTMEN1KMT2AALDH1A1
SCHEMBL393998 0.86 FAAH (0.78) FAAHMAPTMEN1KMT2AALDH1A1
SCHEMBL395724 0.83 FAAH (0.76) FAAHMAPTMEN1KMT2AALDH1A1
SCHEMBL393500 0.82 MAPT (0.81) FAAHMAPTMEN1KMT2AALDH1A1
SCHEMBL24863352 0.81 FAAH (0.70) FAAHMAPTMEN1KMT2AALDH1A1
SCHEMBL394413 0.80 FAAH (0.72) FAAHMAPTMEN1KMT2AALDH1A1
SCHEMBL12358212 0.80 MAPT (0.66) FAAHMAPTMEN1KMT2AALDH1A1
SCHEMBL4075701 0.79 SMN1; SMN2 (0.82) FAAHMAPTMEN1KMT2AALDH1A1
SCHEMBL4075698 0.79 SMN1; SMN2 (0.82) FAAHMAPTMEN1KMT2AALDH1A1

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-8101649-B2 N-acylhydrazone derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2012-01-24 US disclosed