SCHEMBL4758138

SCHEMBL4758138

C[CH]CCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 20/20 0.57

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
SCHEMBL18764637 0.85 KIF11 (0.53) KIF11
SCHEMBL18764634 0.85 KIF11 (0.53) KIF11
SCHEMBL1526445 0.80 KIF11 (0.57) KIF11
SCHEMBL12944446 0.79 KIF11 (0.52) KIF11
SCHEMBL9106215 0.77 KIF11 (0.63) KIF11
SCHEMBL18764694 0.77 KIF11 (0.49) KIF11
SCHEMBL18764574 0.77 KIF11 (0.49) KIF11
SCHEMBL18764571 0.77 KIF11 (0.49) KIF11
SCHEMBL10315008 0.76 KIF11 (0.52) KIF11
SCHEMBL17258330 0.76 KIF11 (0.52) KIF11

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-1896048-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-03-12 EP disclosed
WO-2006121588-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006091506-A2 NEUROPEPTIDE Y4 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 WO disclosed