SCHEMBL2446447

SCHEMBL2446447

COc1cccc(OC)c1CNC(N)=Nc1nc(-c2ccccc2C(F)(F)F)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 10/20 0.53
ATP4B P51164 10/20 0.53
VCP P55072 2/20 0.41
LMNA P02545 3/20 0.40
CYP2D6 P10635 3/20 0.40
TSHR P16473 3/20 0.40
CYP2C19 P33261 3/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38

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 SCHEMBL2380174 0.99 ATP4A (0.54) ATP4AATP4BVCPLMNACYP2D6
SCHEMBL2380495 0.91 ATP4A (0.53) ATP4AATP4BVCPLMNACYP2D6
SCHEMBL2449269 0.89 ATP4A (0.67) ATP4AATP4BVCPALDH1A1MAPT
Bromide SCHEMBL2379078 0.88 ATP4A (0.68) ATP4AATP4BVCPALDH1A1MAPT
SCHEMBL2451046 0.87 ATP4A (0.56) ATP4AATP4BVCPALDH1A1MAPT
Bromide SCHEMBL2379940 0.87 ATP4A (0.57) ATP4AATP4BVCPALDH1A1MPL
SCHEMBL2380437 0.84 ATP4A (0.46) ATP4AATP4BTP53ALDH1A1MAPT
SCHEMBL2380537 0.83 ATP4A (0.41) ATP4AATP4BLMNATSHRMAPK1
SCHEMBL2380595 0.83 ATP4A (0.53) ATP4AATP4BMAPTNPC1RAB9A
SCHEMBL2379709 0.83 ATP4A (0.51) ATP4AATP4BMAPTNPC1RAB9A

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