SCHEMBL7423913

SCHEMBL7423913

CC(CCC(=O)O)CNCC(C(=O)O)c1csc(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 10/20 0.58
SHMT2 P34897 6/20 0.58
CYP2C9 P11712 1/20 0.40
ALPL P05186 2/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
IL1R1 P14778 1/20 0.39
PRKCA P17252 1/20 0.39
TNFRSF1A P19438 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCZ Q05513 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL21560154 0.74 SHMT1 (1.00) SHMT1SHMT2CYP2C9ALPLPRKD3
SCHEMBL20241548 0.70 SHMT1 (0.64) SHMT1SHMT2CYP2C9PRKD3PRKCG
SCHEMBL20255890 0.67 SHMT1 (0.98) SHMT1SHMT2
SCHEMBL20255949 0.67 SHMT1 (0.98) SHMT1SHMT2
SCHEMBL21560171 0.67 SHMT1 (0.74) SHMT1SHMT2CYP2C9PRKD3PRKCG
SCHEMBL21560223 0.65 SHMT1 (0.79) SHMT1SHMT2
SCHEMBL21560181 0.65 SHMT1 (0.79) SHMT1SHMT2
SCHEMBL5870566 0.65 SHMT1 (0.60) SHMT1SHMT2PRKD3PRKCGPRKCB
SCHEMBL20255852 0.65 SHMT1 (0.79) SHMT1SHMT2
SCHEMBL21560079 0.65 SHMT1 (0.79) SHMT1SHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed