SCHEMBL2356008

SCHEMBL2356008

Cc1cccc(C2C=CSS2)c1C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.41
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
PBRM1 Q86U86 1/20 0.35
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 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
SCHEMBL114449 0.67 HTR2C (0.46) HTR2CHTR2AHTR2BPBRM1TRPA1
SCHEMBL16956125 0.64 HTR2C (0.74) HTR2CHTR2AHTR2BTRPA1ATM
SCHEMBL11245053 0.63 HTR2C (0.46) HTR2CHTR2AHTR2BPBRM1TRPA1
SCHEMBL40704 0.62
SCHEMBL5494561 0.62 TRPA1 (0.61) TRPA1ATMCYP1A2CYP2A6
SCHEMBL24385162 0.61 HTR2C (0.41) HTR2CHTR2AHTR2BPBRM1TRPA1
SCHEMBL29875704 0.61 HTR2C (0.44) HTR2CHTR2AHTR2BPBRM1TRPA1
SCHEMBL10779356 0.61 HTR2C (0.49) HTR2CHTR2AHTR2BPBRM1TRPA1
SCHEMBL6386133 0.61 HTR2C (0.69) HTR2CHTR2AHTR2BTRPA1ATM
SCHEMBL23873432 0.60 HTR2C (0.51) HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004036011-A2 BIOMOLECULAR-BASED ACTUATOR FLORIDA STATE UNIVERSITY (US) 2004-04-29 WO claimed
US-20130040845-A1 METHOD FOR SCREENING RECEPTORS/LIGANDS INTERACTIONS IMMUNE DISEASE INSTITUTE, INC. (US) 2013-02-14 US disclosed
WO-2011103049-A2 METHOD FOR SCREENING RECEPTORS/LIGANDS INTERACTIONS IMMUNE DISEASE INSTITUTE, INC. (US) 2011-08-25 WO disclosed
US-7173156-B1 Thioacetate deprotection THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2007-02-06 US disclosed
US-20060003097-A1 Fabrication of nanoparticle arrays PURDUE RESEARCH FOUNDATION 2006-01-05 US disclosed
WO-2005015792-A2 FABRICATION OF NANOPARTICLE ARRAYS PURDUE RESEARCH FOUNDATION (US) 2005-02-17 WO disclosed
US-6673424-B1 Devices based on molecular electronics ARIZONA BOARD OF REGENTS 2004-01-06 US disclosed
US-6277651-B1 Diode laser electrochemical sensor for detecting chemical and biological analytes CALSPAN SRL CORPORATION 2001-08-21 US disclosed