SCHEMBL2490871

SCHEMBL2490871

COc1cccc(OC)c1CN=C(N)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 16/20 0.68
ATP4B P51164 16/20 0.68
NPC1 O15118 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL2443681 0.98 ATP4A (0.66) ATP4AATP4BNPC1CASP3RAB9A
Bromide SCHEMBL2380835 0.97 ATP4A (0.67) ATP4AATP4BNPC1CASP3RAB9A
SCHEMBL2379298 0.90 ATP4A (0.59) ATP4AATP4BNPC1RAB9AMEN1
SCHEMBL2443336 0.89 ATP4A (0.62) ATP4AATP4BMEN1KMT2A
Bromide SCHEMBL2380483 0.88 ATP4A (0.63) ATP4AATP4BMEN1KMT2A
SCHEMBL2380102 0.88 ATP4A (0.56) ATP4AATP4BMEN1KMT2A
SCHEMBL2441512 0.87 ATP4A (0.58) ATP4AATP4BMEN1KMT2A
SCHEMBL2382887 0.87 ATP4A (0.55) ATP4AATP4BNPC1CASP3RAB9A
SCHEMBL2380822 0.87 ATP4A (0.55) ATP4AATP4BNPC1RAB9AMEN1
Bromide SCHEMBL2379367 0.86 ATP4A (0.59) ATP4AATP4BMEN1KMT2A

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-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