SCHEMBL393500

SCHEMBL393500

O=C(CCc1c[nH]c2ccccc12)N/N=C/c1cccc(F)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.81
FAAH O00519 1/20 0.78
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
POLB P06746 2/20 0.68
THRB P10828 1/20 0.68
ALDH1A1 P00352 6/20 0.66
KDM4E B2RXH2 2/20 0.66
GFER P55789 1/20 0.66
LMNA P02545 1/20 0.62
GAA P10253 3/20 0.53
NPSR1 Q6W5P4 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 2/20 0.51
GLA P06280 1/20 0.51
NPC1 O15118 1/20 0.51
XBP1 P17861 1/20 0.51
RAB9A P51151 1/20 0.51
HPGD P15428 1/20 0.49

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
SCHEMBL13381103 0.89 MAPT (1.00) MAPTFAAHMEN1KMT2APOLB
SCHEMBL395281 0.88 FAAH (0.83) MAPTFAAHMEN1KMT2APOLB
SCHEMBL393675 0.88 FAAH (1.00) MAPTFAAHMEN1KMT2APOLB
SCHEMBL391199 0.86 FAAH (0.76) MAPTFAAHMEN1KMT2APOLB
SCHEMBL393680 0.82 FAAH (0.83) MAPTFAAHMEN1KMT2APOLB
SCHEMBL393982 0.82 FAAH (0.65) MAPTFAAHMEN1KMT2APOLB
SCHEMBL394413 0.82 FAAH (0.72) MAPTFAAHMEN1KMT2APOLB
SCHEMBL24863352 0.81 FAAH (0.70) MAPTFAAHMEN1KMT2APOLB
SCHEMBL395724 0.80 FAAH (0.76) MAPTFAAHMEN1KMT2APOLB
SCHEMBL393998 0.79 FAAH (0.78) MAPTFAAHMEN1KMT2APOLB

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