SCHEMBL2914716

SCHEMBL2914716

C/C=C(/F)COc1ccc2nc(C)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MAPT P10636 7/20 0.50
LMNA P02545 3/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PPARA Q07869 1/20 0.41
POLB P06746 1/20 0.41
LDHA P00338 1/20 0.41

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
SCHEMBL3751571 0.89 PDE10A (0.51) L3MBTL1TDP1MAPTLMNAKMT2A
SCHEMBL3751570 0.89 PDE10A (0.51) L3MBTL1TDP1MAPTLMNAKMT2A
SCHEMBL3751561 0.87 AOC3 (0.53) L3MBTL1TDP1MAPTLMNAKMT2A
SCHEMBL3751556 0.87 AOC3 (0.53) L3MBTL1TDP1MAPTLMNAKMT2A
SCHEMBL3751565 0.87 AOC3 (0.53) L3MBTL1TDP1MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL2923493 0.86 AOC3 (0.52) L3MBTL1TDP1MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL2923490 0.86 AOC3 (0.52) L3MBTL1TDP1MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL3763018 0.86 AOC3 (0.52) L3MBTL1TDP1MAPTLMNAKMT2A
SCHEMBL2923395 0.83 MAPT (0.52) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL8261943 0.78 KMT2A (0.69) L3MBTL1TDP1MAPTLMNAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222160-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR Pharmaxis Ltd. (AU) 2010-09-01 EP claimed
WO-2009066152-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (US) 2009-05-28 WO claimed