SCHEMBL596244

SCHEMBL596244

NCc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.49
TAAR1 Q96RJ0 1/20 0.40
SGK1 O00141 1/20 0.38
DPP4 P27487 2/20 0.38
BACE1 P56817 3/20 0.37
AKT2 P31751 1/20 0.34
FOLH1 Q04609 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
PBRM1 Q86U86 1/20 0.32
LMNA P02545 1/20 0.32
ASIC3 Q9UHC3 1/20 0.31
DCUN1D2 Q6PH85 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31

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
Hydrochloric Acid SCHEMBL1131262 0.99 CSNK2A1 (0.50) CSNK2A1TAAR1SGK1DPP4BACE1
SCHEMBL1774163 0.87 FOLH1 (0.37) CSNK2A1BACE1FOLH1
SCHEMBL8674236 0.86 FOLH1 (0.33) CSNK2A1BACE1FOLH1SMARCA2SMARCA4
SCHEMBL27466258 0.86 CSNK2A1 (0.36) CSNK2A1BACE1FOLH1LMNADCUN1D2
Benzylamine SCHEMBL27675029 0.85 DPP4 (0.43) CSNK2A1TAAR1SGK1DPP4AKT2
SCHEMBL1132111 0.84 TAAR1 (0.43) CSNK2A1TAAR1SGK1DPP4AKT2
SCHEMBL27452763 0.83 TDP1 (0.36) CSNK2A1BACE1FOLH1DCUN1D2DCUN1D1
Hydrochloric Acid SCHEMBL1131050 0.82 AKT2 (0.42) CSNK2A1TAAR1SGK1DPP4AKT2
SCHEMBL27259186 0.82 CSNK2A1 (0.33) CSNK2A1FOLH1
SCHEMBL594529 0.79 MAPT (0.35) LMNA

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-1753746-B8 NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY ROTTAPHARM SPA (IT) 2012-02-15 EP disclosed
EP-1753746-A2 NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY ROTTAPHARM S.P.A. (IT) 2007-02-21 EP disclosed
WO-2005105789-A2 NOVEL PYRROLE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST ACTIVITY ROTTAPHARM S.P.A. (IT) 2005-11-10 WO disclosed