SCHEMBL1850707

SCHEMBL1850707

O=C(O)c1cc(-c2ccc(OCCCOC3CCCCO3)cc2)c(-c2ccccc2Cl)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4C Q9H3R0 1/20 0.38
PRKAB2 O43741 5/20 0.36
PRKAG1 P54619 5/20 0.36
PRKAA2 P54646 5/20 0.36
PRKAA1 Q13131 5/20 0.36
PRKAG3 Q9UGI9 5/20 0.36
PRKAG2 Q9UGJ0 5/20 0.36
PRKAB1 Q9Y478 5/20 0.36
OXTR P30559 1/20 0.36
RORC P51449 1/20 0.35
FFAR4 Q5NUL3 4/20 0.35
FFAR1 O14842 2/20 0.35
CYP2C9 P11712 1/20 0.35
SCN5A Q14524 1/20 0.35
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 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
SCHEMBL2158729 0.93 MEN1 (0.46) MEN1KMT2AKDM4COXTRFFAR4
SCHEMBL1848429 0.89 MEN1 (0.51) MEN1KMT2APRKAB2PRKAG1PRKAA2
SCHEMBL1846923 0.84 MEN1 (0.40) MEN1KMT2ARORCBACE1ALDH1A1
SCHEMBL1846922 0.83 MEN1 (0.40) MEN1KMT2APRKAB2PRKAG1PRKAA2
SCHEMBL2158549 0.82 MEN1 (0.44) MEN1KMT2APRKAB2PRKAG1PRKAA2
SCHEMBL476406 0.80 MEN1 (0.44) MEN1KMT2AKDM4COXTRRORC
SCHEMBL1850456 0.77 MEN1 (0.38) MEN1KMT2A
SCHEMBL1850453 0.76 MEN1 (0.38) MEN1KMT2A
SCHEMBL2682498 0.74 KMT2A (0.38) MEN1KMT2AKDM4COXTRCHRNB2
SCHEMBL9335079 0.73 MEN1 (0.95) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324015-B1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-07-03 EP disclosed
EP-2324015-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-aventis (FR) 2011-05-25 EP disclosed
WO-2010012964-A2 THIOPHENE-2-CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-04 WO disclosed