SCHEMBL393675

SCHEMBL393675

O=C(CCc1c[nH]c2ccccc12)N/N=C/c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 1.00
MAPT P10636 7/20 0.78
ALDH1A1 P00352 6/20 0.78
MEN1 O00255 3/20 0.78
KMT2A Q03164 3/20 0.78
KDM4E B2RXH2 2/20 0.78
GFER P55789 1/20 0.78
POLB P06746 2/20 0.70
THRB P10828 1/20 0.70
LMNA P02545 1/20 0.65
GAA P10253 3/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GLA P06280 1/20 0.58
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
G6PD P11413 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
SCHEMBL395281 0.91 FAAH (0.83) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL393680 0.91 FAAH (0.83) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL393500 0.88 MAPT (0.81) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL393998 0.88 FAAH (0.78) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL395724 0.87 FAAH (0.76) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL391199 0.87 FAAH (0.76) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL394413 0.84 FAAH (0.72) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL24863352 0.83 FAAH (0.70) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL4075701 0.83 SMN1; SMN2 (0.82) FAAHMAPTALDH1A1MEN1KMT2A
SCHEMBL4075698 0.83 SMN1; SMN2 (0.82) 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