SCHEMBL27320810

SCHEMBL27320810

Fc1ccc(-c2nc(OCCc3c[nH]c4ccc(Cl)cc34)c3ncsc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SNCA P37840 8/20 0.41
HTR2A P28223 2/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
SLC6A4 P31645 2/20 0.38
HTR1A P08908 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
MPO P05164 2/20 0.36
IP6K1 Q92551 1/20 0.36

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
SCHEMBL30867161 1.00 SNCA (0.41) SNCAHTR2ATRPM8SLC6A4HTR1A
SCHEMBL30867191 0.94 SNCA (0.40) SNCAHTR2ATRPM8SLC6A4HTR1A
SCHEMBL27319951 0.88 MPO (0.42) HTR2ATRPM8SLC6A4HTR1AGPR84
SCHEMBL30867157 0.88 MPO (0.42) HTR2ATRPM8SLC6A4HTR1AGPR84
SCHEMBL30867211 0.87 HTR1A (0.43) HTR2ATRPM8SLC6A4HTR1AMPO
SCHEMBL27319956 0.87 HTR1A (0.43) HTR2ATRPM8SLC6A4HTR1AMPO
SCHEMBL31534055 0.87 MPO (0.42) HTR2ATRPM8SLC6A4HTR1AGPR84
SCHEMBL27320817 0.87 MPO (0.42) HTR2ATRPM8SLC6A4HTR1AGPR84
SCHEMBL31534073 0.87 CDK4 (0.43) SLC6A4HTR1AGPR84CDK4CCND1
SCHEMBL27319565 0.87 CDK4 (0.43) SLC6A4HTR1AGPR84CDK4CCND1

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
WO-2024076300-A1 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2024-04-11 WO disclosed