SCHEMBL2419946

SCHEMBL2419946

COc1ccc(F)cc1CNC(N)=Nc1nc(C)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
ATP4A P20648 5/20 0.39
ATP4B P51164 5/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPK10 P53779 1/20 0.38
NTRK1 P04629 1/20 0.38
KMT2A Q03164 2/20 0.36
AHR P35869 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 2/20 0.36
CSNK1D P48730 1/20 0.35
QRFPR Q96P65 1/20 0.35
MAPT P10636 2/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL2379523 0.88 POLB (0.54) POLBPKMATP4AATP4BKDM4E
SCHEMBL2379293 0.85 ATP4A (0.48) ATP4AATP4BKMT2ATP53MAPT
SCHEMBL2379444 0.82 ATP4A (0.44) POLBPKMATP4AATP4BLMNA
SCHEMBL2378946 0.82 MAPK1 (0.41) POLBPKMATP4AATP4BMAPK1
SCHEMBL2379194 0.81 POLB (0.41) POLBPKMLMNASMN1; SMN2KDM4E
SCHEMBL2419031 0.76 ATP4A (0.53) ATP4AATP4BKDM4EKMT2AALDH1A1
Bromide SCHEMBL5623480 0.76 ATP4A (0.53) ATP4AATP4BKMT2A
SCHEMBL2379645 0.75 ATP4A (0.43) POLBPKMATP4AATP4BSMN1; SMN2
SCHEMBL2419944 0.75 SMN1; SMN2 (0.48) POLBPKMLMNASMN1; SMN2KDM4E
SCHEMBL2380491 0.74 ATP4A (0.53) ATP4AATP4BMAPT

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 6 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
EP-1716127-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2006-11-02 EP disclosed
WO-2005082871-A2 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2005-09-09 WO disclosed