SCHEMBL27320293

SCHEMBL27320293

Cc1[nH]c2ccc(Cl)cc2c1CCOc1nc(-c2ccc[nH]c2=O)nc2scnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
HTR6 P50406 1/20 0.37
KMT2A Q03164 8/20 0.35
MEN1 O00255 7/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.34
SNCA P37840 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL27321096 0.91 KMT2A (0.35) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL31534075 0.85 ADRA2A (0.38) ADRA2AADRA2BADRA2CHTR7HTR2B
SCHEMBL31534087 0.85 LMNA (0.40) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL27320013 0.82 HTR6 (0.46) ADRA2AADRA2BADRA2CHTR7HTR2B
SCHEMBL31534054 0.82 HTR6 (0.46) ADRA2AADRA2BADRA2CHTR7HTR2B
SCHEMBL30867164 0.76 IP6K1 (0.42) HTR6KMT2AMEN1ALDH1A1MAPT
SCHEMBL27319530 0.76 IP6K1 (0.42) HTR6KMT2AMEN1ALDH1A1MAPT
SCHEMBL30867146 0.75 KMT2A (0.36) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL27321109 0.75 KMT2A (0.36) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL27321147 0.75 MPO (0.37) KMT2AHTR1A

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