SCHEMBL390266

SCHEMBL390266

O=C(CCc1c[nH]c2ccc(F)cc12)N/N=C/c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.58
MAPT P10636 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
POLB P06746 1/20 0.54
THRB P10828 1/20 0.54
MPO P05164 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
GFER P55789 1/20 0.52
CYP1A2 P05177 1/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
SLC6A4 P31645 1/20 0.50
GUSB P08236 1/20 0.49
NOTUM Q6P988 2/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48

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
SCHEMBL394413 0.89 FAAH (0.72) FAAHMAPTMEN1KMT2APOLB
SCHEMBL391199 0.88 FAAH (0.76) FAAHMAPTMEN1KMT2APOLB
SCHEMBL393982 0.85 FAAH (0.65) FAAHMAPTMEN1KMT2APOLB
SCHEMBL395281 0.79 FAAH (0.83) FAAHMAPTMEN1KMT2APOLB
SCHEMBL393500 0.78 MAPT (0.81) FAAHMAPTMEN1KMT2APOLB
SCHEMBL393675 0.74 FAAH (1.00) FAAHMAPTMEN1KMT2APOLB
SCHEMBL3655654 0.72 MPO (0.76) KMT2AMPOSLC6A4NOTUMMTNR1A
SCHEMBL29902243 0.72 MPO (0.76) KMT2AMPOSLC6A4NOTUMMTNR1A
SCHEMBL24863352 0.72 FAAH (0.70) FAAHMAPTMEN1KMT2APOLB
SCHEMBL3220638 0.71 MPO (0.74) KMT2AMPOSLC6A4NOTUMMTNR1A

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