SCHEMBL26086367

SCHEMBL26086367

COc1cccc(C2CSCCN2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
PDE10A Q9Y233 3/20 0.42
HTR7 P34969 1/20 0.41
CYP2D6 P10635 2/20 0.41
GSK3B P49841 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41

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
SCHEMBL7291060 0.85 TP53 (0.40) HTR2CMEN1KMT2AKDM4EGAA
SCHEMBL2327908 0.81 MAOA (0.46) CYP2D6GSK3BMEN1KMT2AGAA
SCHEMBL31494212 0.77 MEN1 (0.61) HTR2CHTR7MEN1KMT2AHTR2A
SCHEMBL553649 0.77 GID4 (0.44) HTR2CGSK3BMEN1KMT2AHTR2A
SCHEMBL2808985 0.77 MEN1 (0.61) HTR2CHTR7MEN1KMT2AHTR2A
SCHEMBL6178879 0.77 MEN1 (0.61) HTR2CHTR7MEN1KMT2AHTR2A
SCHEMBL1636847 0.76 HTR2C (0.56) HTR2CPDE10AHTR7MEN1KMT2A
SCHEMBL1637389 0.76 HTR2C (0.56) HTR2CPDE10AHTR7MEN1KMT2A
SCHEMBL1637555 0.76 HTR2C (0.56) HTR2CPDE10AHTR7MEN1KMT2A
SCHEMBL3154247 0.76 HTR2C (0.56) HTR2CCYP2D6MEN1KMT2AHTR2A

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
US-20230129380-A1 Method for Estimating Molecular Complexity CHEMIFY LIMITED (GB) 2023-04-27 US disclosed