SCHEMBL7041640

SCHEMBL7041640

C=C(C(=O)N1CCNCC1)c1cc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 6/20 0.52
HPGD P15428 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HRH4 Q9H3N8 1/20 0.50
FLT3 P36888 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CD74 P04233 1/20 0.44
MIF P14174 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL16825864 0.83 MAPT (0.76) MAPTPOLBALDH1A1HPGDL3MBTL1
SCHEMBL27865005 0.75 RAB9A (0.52) MAPTPOLBALDH1A1HPGDL3MBTL1
Piperazine SCHEMBL28827893 0.74 FLT3 (0.61) MAPTPOLBALDH1A1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL27726072 0.74 RAB9A (0.51) MAPTPOLBALDH1A1HPGDL3MBTL1
SCHEMBL10498565 0.74 FLT3 (0.65) MAPTPOLBALDH1A1HPGDL3MBTL1
SCHEMBL31280218 0.74 FLT3 (0.65) MAPTPOLBALDH1A1HPGDL3MBTL1
SCHEMBL28325613 0.73 MAPT (0.49) MAPTPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL29794233 0.73 HSD17B10 (0.78) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL29046357 0.73 HSD17B10 (0.78) MAPTALDH1A1HPGDRAB9ANPC1
SCHEMBL19284197 0.72 ALDH1A1 (0.65) MAPTPOLBALDH1A1HPGDL3MBTL1

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-1194426-B1 BENZOFURANE DERIVATIVES MERCK PATENT GMBH (DE) 2004-08-18 EP disclosed