SCHEMBL4958302

SCHEMBL4958302

NC1=C2C(=CC=Cc3ccccc32)SC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 2/20 0.35
ABCB11 O95342 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
TSHR P16473 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL6835991 0.77 SETD7 (0.34) SETD7ABCB11ALDH1A1TP53CYP1A2
SCHEMBL4295558 0.71 KDM4E (0.33) TP53TSHRHTTHSD17B10MEN1
SCHEMBL19690785 0.66
SCHEMBL10462360 0.64 HTR6 (0.35) ALDH1A1HTR6HSD17B10MEN1LMNA
SCHEMBL568780 0.60 MEN1 (0.46) SETD7ABCB11ALDH1A1TP53CYP1A2
SCHEMBL504078 0.60 MEN1 (0.46) SETD7ABCB11ALDH1A1TP53CYP1A2
SCHEMBL9985286 0.58 MEN1 (0.44) SETD7ABCB11ALDH1A1TP53CYP1A2
SCHEMBL9985289 0.58 MEN1 (0.44) SETD7ABCB11ALDH1A1TP53CYP1A2
SCHEMBL21922641 0.57 HTR6 (0.33) ALDH1A1HTR6HSD17B10MEN1LMNA
SCHEMBL26665032 0.56 KDM4E (0.31) ALDH1A1HSD17B10MEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459432-B2 Modification of feeding behavior IMPERIAL COLLEGE INNOVATIONS LTD. (GB) 2008-12-02 US disclosed
EP-1585956-A2 ASSESSMENT OF NEURONS IN THE ARCUATE NUCLEUS TO SCREEN FOR AGENTS THAT MODIFY FEEDING BEHAVIOR Oregon Health and Science University (US) 2005-10-19 EP disclosed
WO-2003026591-A9 MODIFICATION OF FEEDING BEHAVIOR IMP COLLEGE INNOVATIONS LTD (GB) 2004-07-08 WO disclosed
WO-2003027637-A2 ASSESSMENT OF NEURONS IN THE ARCUATE NUCLEUS TO SCREEN FOR AGENTS THAT MODIFY FEEDING BEHAVIOR OREGON HEALTH AND SCIENCE UNIVERSITY (US) 2003-04-03 WO disclosed