SCHEMBL30980968

SCHEMBL30980968

CN1CC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 7/20 0.49
HCAR3 P49019 3/20 0.46
MAPT P10636 6/20 0.45
PKM P14618 2/20 0.45
RAB9A P51151 2/20 0.45
WNK1 Q9H4A3 2/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
KAT2B Q92831 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL24913769 1.00 KDM4E (0.51) KDM4EMAPK1HCAR3MAPTPKM
SCHEMBL23177148 1.00 KDM4E (0.51) KDM4EMAPK1HCAR3MAPTPKM
SCHEMBL30980960 1.00 KDM4E (0.51) KDM4EMAPK1HCAR3MAPTPKM
SCHEMBL24913779 1.00 KDM4E (0.51) KDM4EMAPK1HCAR3MAPTPKM
SCHEMBL18174292 0.92 KDM4E (0.56) KDM4EMAPK1HCAR3MAPTPKM
SCHEMBL2253578 0.90 KDM4E (0.52) KDM4EMAPK1HCAR3MAPTPKM
SCHEMBL2251096 0.83 KDM4E (0.53) KDM4EMAPK1HCAR3MAPTPKM
SCHEMBL2254182 0.83 KDM4E (0.53) KDM4EMAPK1HCAR3MAPTPKM
SCHEMBL8065851 0.83 KDM4E (0.53) KDM4EMAPK1HCAR3MAPTPKM
SCHEMBL17678246 0.82 HCAR3 (0.64) MAPK1HCAR3MAPTPKMRAB9A

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-112574189-B EP300/CBP inhibitor 海创药业股份有限公司 2024-05-31 CN disclosed