SCHEMBL4282891

SCHEMBL4282891

CCCCCN([C]=O)NC(N)=S

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MGLL Q99685 1/20 0.33
DNM1 Q05193 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
SCHEMBL7689399 0.84 KDM5A (0.33) CA12CA1CA9DNM1
SCHEMBL7682621 0.78 KDM5A (0.37)
SCHEMBL17164846 0.77 CA12 (0.48) CA12CA1CA2CA9MGLL
Thiourea SCHEMBL17164885 0.75 CA12 (0.47) CA12CA1CA2CA9MGLL
SCHEMBL10770104 0.73 CA12 (0.41) CA12CA1CA2CA9MGLL
SCHEMBL6006539 0.72 EPHX1 (0.36) DNM1
SCHEMBL6006518 0.70 EPHX1 (0.49)
SCHEMBL6008437 0.69 EPHX1 (0.40) CA12CA1CA2CA9
SCHEMBL6850051 0.69 CA12 (0.41) CA12CA1
SCHEMBL8523734 0.68 ADH1C (0.39) DNM1

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-20090155828-A1 METHODS OF DETECTING PROSTATE CANCER THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-06-18 US disclosed
US-20060171947-A1 Serine/threonine hydrolase proteins and screening assays BURNHAM INSTITUTE 2006-08-03 US disclosed
US-7083987-B2 Activity based probe analysis ACTIVX BIOSCIENCES, INC. (US) 2006-08-01 US disclosed
US-20030175986-A1 Activity based probe analysis ACTIVX BIOSCIENCES, INC. 2003-09-18 US disclosed
US-20030096328-A1 Serine/threonine hydrolase proteins and screening assays BURNHAM INSTITUTE 2003-05-22 US disclosed
WO-2003023355-A2 SERINE/THREONINE HYDROLASE PROTEINS AND SCREENING ASSAYS THE BURNHAM INSTITUTE (US) 2003-03-20 WO disclosed