SCHEMBL12668434

SCHEMBL12668434

N#Cc1cc(C2CN=CS2)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 5/20 0.34
▸ ABCC9 O60706 1/20 0.33
▸ ABCC8 Q09428 1/20 0.33
▸ KCNJ11 Q14654 1/20 0.33
▸ KCNJ8 Q15842 1/20 0.33
▸ PTP4A3 O75365 1/20 0.33
▸ TRPV4 Q9HBA0 2/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ CYP11B1 P15538 2/20 0.31
▸ CYP11B2 P19099 2/20 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
SCHEMBL12668433 0.74 ABCC9 (0.32) ABCC9ABCC8KCNJ11KCNJ8PTP4A3
SCHEMBL28777283 0.71 ABCC9 (0.37) PLA2G7ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL29725673 0.71 ABCC9 (0.37) PLA2G7ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL31734535 0.71 PTP4A3 (0.38) PLA2G7ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL14498539 0.68 ABCC9 (0.39) PLA2G7ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL25004524 0.67 SLC6A4 (0.38) PLA2G7ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3712044 0.67 CYP11B1 (0.51) PLA2G7ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL2082363 0.67 PGR (0.36) PLA2G7ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5109838 0.63 QDPR (0.50) PLA2G7
SCHEMBL31420544 0.62 PGR (0.34) ABCC9ABCC8KCNJ11KCNJ8PTP4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012158550-A2 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2012-11-22 — — WO disclosed
WO-2011060391-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2011-05-19 — — WO disclosed
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