SCHEMBL27253699

SCHEMBL27253699

COc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.52
▸ HTR1A P08908 6/20 0.52
▸ DRD2 P14416 5/20 0.52
▸ HTR7 P34969 5/20 0.52
▸ HTR6 P50406 5/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ SLC2A1 P11166 1/20 0.51
▸ RAD52 P43351 1/20 0.51
▸ IP6K1 Q92551 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ HTT P42858 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ GFER P55789 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL30278019 1.00 HTR2A (0.52) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL29244625 0.86 HTR2A (0.53) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL31535489 0.86 HTR2A (0.53) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL29244482 0.85 KMT2A (0.50) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL29244438 0.85 KMT2A (0.45) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL30698044 0.85 KMT2A (0.45) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL29244440 0.85 KMT2A (0.45) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL29244477 0.85 KMT2A (0.47) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL29244634 0.85 KMT2A (0.45) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL29244432 0.85 KMT2A (0.47) HTR2AHTR1ADRD2HTR7HTR6

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-118076613-A Compounds useful for modulating AhR signaling 捷豹治疗有限公司 2024-05-24 — — CN disclosed
WO-2023033740-A9 COMPOUNDS USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2023-12-28 — — WO disclosed
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