SCHEMBL31534087

SCHEMBL31534087

O=c1[nH]cccc1-c1nc(OCCc2c[nH]c3ccc(Cl)cc23)c2ncsc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
HTR2A P28223 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
HPGD P15428 1/20 0.35
SNCA P37840 4/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
SLC6A4 P31645 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL27321147 0.90 MPO (0.37) KMT2AHTR2ATRPM8GPR84SLC6A4
SCHEMBL27318948 0.89 MAPT (0.38) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL30867125 0.89 MAPT (0.38) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL30867128 0.85 HPGD (0.39) LMNAMAPTMEN1TP53KMT2A
SCHEMBL27320667 0.85 HPGD (0.39) LMNAMAPTMEN1TP53KMT2A
SCHEMBL27320293 0.85 ADRA2A (0.37) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL31534081 0.82 MTNR1A (0.37) GPR84MTNR1A
SCHEMBL27319322 0.82 MTNR1A (0.37) GPR84MTNR1A
SCHEMBL30867170 0.82 HTR2A (0.45) HTR2ATRPM8SNCAGPR84MTNR1A
SCHEMBL27319867 0.82 HTR2A (0.45) HTR2ATRPM8SNCAGPR84MTNR1A

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
CN-119948035-A Compounds useful for modulating AhR signaling 捷豹治疗有限公司 2025-05-06 CN disclosed