SCHEMBL2447724

SCHEMBL2447724

COc1ccccc1CNC(=N)Nc1nnc(C)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 3/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 2/20 0.41
HDAC1 Q13547 1/20 0.41
KDM1A O60341 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 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
Acetic Acid SCHEMBL2383704 0.94 KMT2A (0.47) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL2379528 0.86 ROCK2 (0.40) MEN1KMT2AALDH1A1GAAHSD17B10
SCHEMBL2420870 0.81 QPCT (0.44) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL2447099 0.79 NPC1 (0.62) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL2379377 0.78 SMN1; SMN2 (0.70) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL2448847 0.78 POLB (0.46) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
Acetic Acid SCHEMBL2379861 0.76 KMT2A (0.46) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL2778538 0.76 POLB (0.50) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL2379930 0.75 NPSR1 (0.47) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL2446393 0.75 NPC1 (0.55) SMN1; SMN2HPGDMEN1KMT2AALDH1A1

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