SCHEMBL5378634

SCHEMBL5378634

O=C(O)Cc1cc2c(C=S)c[nH]c2cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 2/20 0.40
NFKB1 P19838 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.37
PRKAB2 O43741 7/20 0.35
PRKAG1 P54619 7/20 0.35
PRKAA2 P54646 7/20 0.35
PRKAA1 Q13131 7/20 0.35
PRKAG3 Q9UGI9 7/20 0.35
PRKAG2 Q9UGJ0 7/20 0.35
PRKAB1 Q9Y478 7/20 0.35
GPR17 Q13304 1/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 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
SCHEMBL5378636 0.77 LMNA (0.49) LMNATSHRALDH1A1CYP2C9NFKB1
SCHEMBL5915286 0.74 ALDH1A1 (0.59) LMNATSHRALDH1A1CYP2C9NFKB1
SCHEMBL5387155 0.73 ALDH1A1 (0.44) LMNATSHRALDH1A1CYP2C9NFKB1
SCHEMBL5204231 0.71 NR4A2 (0.50) LMNACYP2C9NFKB1PRKAB2PRKAG1
SCHEMBL8800942 0.70 CSNK2A1 (0.58) LMNATSHRALDH1A1CYP2C9NFKB1
SCHEMBL27033587 0.70 TSHR (0.49) LMNATSHRALDH1A1CYP2C9NFKB1
SCHEMBL27569328 0.69 ALDH1A1 (0.52) LMNATSHRALDH1A1CYP2C9NFKB1
SCHEMBL840736 0.66 GPR84 (0.65) LMNATSHRALDH1A1CYP2C9NFKB1
SCHEMBL29623480 0.66 GPR84 (0.65) LMNATSHRALDH1A1CYP2C9NFKB1
SCHEMBL4837065 0.66 AKR1B1 (0.45) CYP2C9

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
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP disclosed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US disclosed
US-6340685-B1 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-01-22 US disclosed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP disclosed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 WO disclosed