SCHEMBL6964915

SCHEMBL6964915

[CH2]OC(=O)c1cccc2nnsc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
THRB P10828 1/20 0.32
NSD2 O96028 1/20 0.32
BLM P54132 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.31
MALT1 Q9UDY8 2/20 0.31
ILK Q13418 1/20 0.31

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
SCHEMBL9087618 0.80 MAPT (0.35) MAPTPOLBSMN1; SMN2TP53ALDH1A1
SCHEMBL7183586 0.80 MAPT (0.37) MAPTPOLBSMN1; SMN2TP53ALDH1A1
SCHEMBL7243970 0.80 PKM (0.37) MAPTPOLBSMN1; SMN2TP53ALDH1A1
SCHEMBL9089945 0.80 NPC1 (0.44) MAPTPOLBSMN1; SMN2TP53ALDH1A1
SCHEMBL9087862 0.80 TSHR (0.53) MAPTPOLBSMN1; SMN2ALDH1A1RAB9A
SCHEMBL7685621 0.80 ALDH1A1 (0.34) MAPTPOLBSMN1; SMN2TP53ALDH1A1
SCHEMBL9087787 0.80 CYP3A4 (0.56) MAPTSMN1; SMN2TP53ALDH1A1LMNA
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL2455715 0.80 ALDH1A1 (0.44) MAPTSMN1; SMN2TP53ALDH1A1LMNA
1,2,3-Benzothia-Diazole-7-Carboxylic Acid SCHEMBL8588144 0.79 MAPT (0.45) MAPTPOLBSMN1; SMN2TP53ALDH1A1
SCHEMBL3743974 0.78 PARP1 (0.40) MAPTSMN1; SMN2TP53ALDH1A1MEN1

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed