SCHEMBL29244440

SCHEMBL29244440

CC(CN)Oc1c(Cl)nc(Cl)nc1NCCc1c[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ SLC2A1 P11166 1/20 0.45
▸ RAD52 P43351 1/20 0.45
▸ HTR2A P28223 9/20 0.44
▸ HTR1A P08908 8/20 0.44
▸ HTR6 P50406 8/20 0.44
▸ DRD2 P14416 7/20 0.44
▸ HTR7 P34969 7/20 0.44
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ IP6K1 Q92551 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL29244438 1.00 KMT2A (0.45) KMT2APOLBSLC2A1RAD52HTR2A
SCHEMBL29244634 1.00 KMT2A (0.45) KMT2APOLBSLC2A1RAD52HTR2A
SCHEMBL30698044 1.00 KMT2A (0.45) KMT2APOLBSLC2A1RAD52HTR2A
SCHEMBL30278019 0.85 HTR2A (0.52) KMT2APOLBSLC2A1RAD52HTR2A
SCHEMBL27253699 0.85 HTR2A (0.52) KMT2APOLBSLC2A1RAD52HTR2A
SCHEMBL29244477 0.85 KMT2A (0.47) KMT2APOLBSLC2A1RAD52HTR2A
SCHEMBL29244482 0.83 KMT2A (0.50) KMT2APOLBSLC2A1RAD52HTR2A
SCHEMBL29244439 0.83 KMT2A (0.43) KMT2APOLBSLC2A1RAD52HTR2A
SCHEMBL29244425 0.83 KMT2A (0.44) KMT2APOLBSLC2A1RAD52HTR2A
Hydrochloric Acid SCHEMBL30278098 0.82 KMT2A (0.49) KMT2APOLBSLC2A1RAD52HTR2A

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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