SCHEMBL391935

SCHEMBL391935

O=C(CCc1c[nH]c2ccccc12)N/N=C/c1cccs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.71
POLB P06746 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MAPT P10636 6/20 0.62
ALDH1A1 P00352 5/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 2/20 0.62
GFER P55789 1/20 0.62
THRB P10828 1/20 0.59
LMNA P02545 2/20 0.55
GAA P10253 2/20 0.55
GLA P06280 1/20 0.53
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50

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 0.83 FAAH (1.00) FAAHPOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL395724 0.82 FAAH (0.76) FAAHPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL394413 0.79 FAAH (0.72) FAAHPOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL393680 0.79 FAAH (0.83) FAAHPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL395281 0.79 FAAH (0.83) FAAHPOLBSMN1; SMN2MAPTALDH1A1
SCHEMBL393998 0.77 FAAH (0.78) FAAHPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL393500 0.77 MAPT (0.81) FAAHPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL7854132 0.75 SMN1; SMN2 (0.80) POLBRAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL24863352 0.74 FAAH (0.70) FAAHPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL4075701 0.74 SMN1; SMN2 (0.82) FAAHPOLBSMN1; SMN2MAPTALDH1A1

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