SCHEMBL31531330

SCHEMBL31531330

Nc1ccc(Br)c2c1C(=O)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.39
IL1RN P18510 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34

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
SCHEMBL21772236 0.84 KDM4E (0.47) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL20434223 0.83 KDM4E (0.63) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL23142108 0.80 KDM4E (0.61) KDM4EALDH1A1MAPTIL1RNERAP2
SCHEMBL9404932 0.78 CSNK2A2 (0.52) KDM4EALDH1A1MAPTMEN1POLB
SCHEMBL2294753 0.76 KDM4E (0.56) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL18048363 0.76 KDM4E (0.56) KDM4EALDH1A1IL1RNERAP2ERAP1
SCHEMBL31140091 0.76 KDM4E (0.56) KDM4EALDH1A1IL1RNERAP2ERAP1
SCHEMBL23832881 0.76 KDM4E (0.56) KDM4EALDH1A1IL1RNERAP2ERAP1
SCHEMBL12261417 0.76 KDM4E (0.56) KDM4EALDH1A1IL1RNERAP2ERAP1
SCHEMBL30933933 0.76 KDM4E (0.56) KDM4EALDH1A1IL1RNERAP2ERAP1

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-119638639-A Biaryl compound with anti-cell necrotic apoptosis activity, derivative and application thereof 中国药科大学 2025-03-18 CN disclosed