SCHEMBL2443732

SCHEMBL2443732

COc1cccc(OC)c1CNC(=N)Nc1nc(-c2ccc(F)c(F)c2)cs1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 0.63
KMT2A Q03164 14/20 0.63
RAB9A P51151 3/20 0.55
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PAX8 Q06710 1/20 0.48
PSMD14 O00487 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45

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
Bromide SCHEMBL2380194 0.99 MEN1 (0.62) MEN1KMT2ARAB9AALDH1A1ALOX15
SCHEMBL2382007 0.90 KMT2A (0.49) MEN1KMT2ARAB9AALDH1A1ALOX15
SCHEMBL2446391 0.89 CYP1A1 (0.50) MEN1KMT2ARAB9AALDH1A1ALOX15
Bromide SCHEMBL2378134 0.88 CYP1A1 (0.49) MEN1KMT2ARAB9AALDH1A1ALOX15
SCHEMBL2441509 0.88 MEN1 (0.48) MEN1KMT2ARAB9AALDH1A1ALOX15
SCHEMBL2379556 0.87 KMT2A (0.52) MEN1KMT2ARAB9AALDH1A1ALOX15
SCHEMBL2443327 0.87 ABL1 (0.55) MEN1KMT2ARAB9AALDH1A1ALOX15
Bromide SCHEMBL2379365 0.87 MEN1 (0.47) MEN1KMT2ARAB9AALDH1A1ALOX15
SCHEMBL2382861 0.87 RAB9A (0.54) MEN1KMT2ARAB9AALDH1A1ALOX15
SCHEMBL2379292 0.87 ALOX5 (0.55) MEN1KMT2ARAB9AALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716127-B1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2014-08-06 EP disclosed
EP-2380885-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-10-26 EP disclosed
EP-2366392-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed
EP-2366697-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed