SCHEMBL28848937

SCHEMBL28848937

Brc1cccc(C2CCN2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 5/20 0.48
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ EPAS1 Q99814 6/20 0.42
▸ POLB P06746 2/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RCOR1 Q9UKL0 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD5 P21918 1/20 0.39
▸ DRD3 P35462 1/20 0.39

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
SCHEMBL29086568 0.87 CHRNB2 (0.53) KDM1ACHRNB2CHRNA4EPAS1POLB
SCHEMBL2527089 0.87 CHRNB2 (0.53) KDM1ACHRNB2CHRNA4EPAS1POLB
SCHEMBL29964556 0.87 CHRNB2 (0.53) KDM1ACHRNB2CHRNA4EPAS1POLB
SCHEMBL29884098 0.87 CHRNB2 (0.53) KDM1ACHRNB2CHRNA4EPAS1POLB
SCHEMBL30551214 0.85 MEN1 (0.54) KDM1ACHRNB2CHRNA4EPAS1POLB
SCHEMBL29331199 0.85 MEN1 (0.54) KDM1ACHRNB2CHRNA4EPAS1POLB
SCHEMBL15447576 0.85 MEN1 (0.54) KDM1ACHRNB2CHRNA4EPAS1POLB
Hydrochloric Acid SCHEMBL3725483 0.85 CHRNB2 (0.51) KDM1ACHRNB2CHRNA4EPAS1POLB
Hydrochloric Acid SCHEMBL22498444 0.85 CHRNB2 (0.51) KDM1ACHRNB2CHRNA4EPAS1POLB
SCHEMBL27645268 0.80 KDM1A (0.42) KDM1AEPAS1POLBHTR2AHTR2C

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-107108492-A Inhibitor of cellular necrosis 北京生命科学研究所 2017-08-29 — — CN disclosed
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