SCHEMBL29244437

SCHEMBL29244437

CCOCCCOc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ SLC2A1 P11166 1/20 0.47
▸ RAD52 P43351 1/20 0.47
▸ IP6K1 Q92551 2/20 0.47
▸ MAPT P10636 4/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ HTT P42858 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GFER P55789 1/20 0.45
▸ HTR2A P28223 6/20 0.43
▸ HTR1A P08908 5/20 0.43
▸ DRD2 P14416 4/20 0.43
▸ HTR7 P34969 4/20 0.43
▸ HTR6 P50406 4/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL29244625 0.87 HTR2A (0.53) KMT2APOLBSLC2A1RAD52IP6K1
SCHEMBL31535489 0.87 HTR2A (0.53) KMT2APOLBSLC2A1RAD52IP6K1
SCHEMBL29244482 0.86 KMT2A (0.50) KMT2APOLBSLC2A1RAD52IP6K1
Hydrochloric Acid SCHEMBL30278098 0.85 KMT2A (0.49) KMT2APOLBSLC2A1RAD52IP6K1
SCHEMBL29244529 0.85 KMT2A (0.47) KMT2APOLBSLC2A1RAD52IP6K1
SCHEMBL30278038 0.85 KMT2A (0.47) KMT2APOLBSLC2A1RAD52IP6K1
SCHEMBL30278019 0.84 HTR2A (0.52) KMT2APOLBSLC2A1RAD52IP6K1
SCHEMBL27253699 0.84 HTR2A (0.52) KMT2APOLBSLC2A1RAD52IP6K1
SCHEMBL29244477 0.82 KMT2A (0.47) KMT2APOLBSLC2A1RAD52IP6K1
SCHEMBL29244432 0.82 KMT2A (0.47) KMT2APOLBSLC2A1RAD52IP6K1

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-118076613-A Compounds useful for modulating AhR signaling 捷豹治疗有限公司 2024-05-24 — — CN disclosed
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