Sugi Predict

Sugi Predict / Compounds / SCHEMBL14900327

SCHEMBL14900327

SCHEMBL14900327

CCC(N)c1ncc(Br)cc1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.38
▸ S1PR3 Q99500 2/20 0.38
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MET P08581 1/20 0.32
▸ IDH1 O75874 2/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ DPP4 P27487 1/20 0.30

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
SCHEMBL2949201 0.80 S1PR1 (0.41) S1PR1S1PR3HTTKMT2AMET
SCHEMBL16089014 0.80 S1PR1 (0.41) S1PR1S1PR3HTTKMT2AMET
SCHEMBL16089012 0.80 S1PR1 (0.41) S1PR1S1PR3HTTKMT2AMET
SCHEMBL12414696 0.76 S1PR1 (0.37) S1PR1S1PR3HTTKMT2AMET
SCHEMBL23529805 0.74 S1PR1 (0.38) S1PR1S1PR3HTTKMT2AMET
SCHEMBL29009971 0.74 AKR1C3 (0.42) IDH1
SCHEMBL31369246 0.74 S1PR1 (0.36) S1PR1S1PR3HTTKMT2AALOX5AP
SCHEMBL22866663 0.74 HTT (0.40) S1PR1S1PR3HTTKMT2AMET
SCHEMBL22866664 0.74 HTT (0.40) S1PR1S1PR3HTTKMT2AMET
SCHEMBL31064460 0.73 IDH1 (0.38) S1PR1S1PR3METIDH1

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
EP-1893579-B1 1-HYDROXYCYCLOALKANECARBOXAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS MERCK SHARP & DOHME (US) 2013-05-01 — — EP disclosed