SCHEMBL394413

SCHEMBL394413

O=C(CCc1c[nH]c2ccccc12)N/N=C/c1ccccc1F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.72
MAPT P10636 9/20 0.63
ALDH1A1 P00352 7/20 0.63
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
KDM4E B2RXH2 2/20 0.63
GFER P55789 1/20 0.63
POLB P06746 1/20 0.63
THRB P10828 1/20 0.63
GAA P10253 2/20 0.62
GLA P06280 1/20 0.62
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CYP1A2 P05177 1/20 0.55
NPSR1 Q6W5P4 1/20 0.53
HPGD P15428 2/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
PTGS2 P35354 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL390266 0.89 FAAH (0.58) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL395281 0.84 FAAH (0.83) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL393675 0.84 FAAH (1.00) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL393500 0.82 MAPT (0.81) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL393680 0.80 FAAH (0.83) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL391935 0.79 FAAH (0.71) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL395724 0.78 FAAH (0.76) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL393998 0.78 FAAH (0.78) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL24863352 0.77 FAAH (0.70) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL6570157 0.77 MAPT (1.00) FAAHMAPTALDH1A1MEN1KMT2A

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