SCHEMBL30947729

SCHEMBL30947729

CC(C)(C)OC(=O)N1CCC(c2nc3ccc(Br)cc3c(=O)[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
HPGDS O60760 2/20 0.47
CNR1 P21554 1/20 0.44
ROCK2 O75116 1/20 0.43
HCAR1 Q9BXC0 1/20 0.43
FPR2 P25090 1/20 0.42
HTT P42858 1/20 0.42
USP30 Q70CQ3 1/20 0.42
CHEK2 O96017 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL23293923 1.00 KDM4E (0.47) KDM4EMAPTTHRBHPGDSCNR1
SCHEMBL22701202 0.94 HPGDS (0.49) KDM4EMAPTTHRBHPGDSCNR1
SCHEMBL20439472 0.90 KDM4E (0.42) KDM4EMAPTHPGDSROCK2HCAR1
SCHEMBL7718379 0.85 HPGDS (0.55) KDM4EMAPTTHRBHPGDSALDH1A1
SCHEMBL30496019 0.85 HPGDS (0.55) KDM4EMAPTTHRBHPGDSALDH1A1
SCHEMBL23293909 0.85 ROCK2 (0.46) MAPTROCK2NPSR1
SCHEMBL12026566 0.85 MAPT (0.47) KDM4EMAPTTHRBHPGDSCNR1
SCHEMBL26170074 0.83 NSD2 (0.47) MAPTCNR1FPR2HTTUSP30
SCHEMBL30186938 0.83 NSD2 (0.47) MAPTCNR1FPR2HTTUSP30
SCHEMBL23293951 0.83 KDM4E (0.47) KDM4EMAPTTHRBHPGDSCNR1

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-112469707-B Preventive or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2024-06-21 CN disclosed