SCHEMBL22335141

SCHEMBL22335141

CC[C@H]1C[C@H]1c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.69
MAOA P21397 10/20 0.56
MAOB P27338 9/20 0.56
RCOR1 Q9UKL0 3/20 0.56
KDM1B Q8NB78 1/20 0.56
PTPN1 P18031 3/20 0.55
DEGS1 O15121 1/20 0.55
NR1H4 Q96RI1 1/20 0.53

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
SCHEMBL15780111 1.00 KDM1A (0.69) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL22335139 0.89 NR1H4 (0.56) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL22334926 0.88 KDM1A (0.53) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL22334919 0.87 KDM1A (0.58) KDM1AMAOAMAOBRCOR1PTPN1
SCHEMBL22335073 0.85 KDM1A (0.71) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL22335099 0.85 KDM1A (0.71) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL22334901 0.84 KDM1A (0.65) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL22335097 0.84 KDM1A (0.80) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL22334929 0.83 KMT2A (0.62) DEGS1NR1H4
SCHEMBL22335158 0.82 GAA (0.58) KDM1AMAOAMAOBRCOR1KDM1B

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
EP-2928457-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ST EUROPEO DI ONCOLOGIA S R L (IT) 2020-08-12 EP disclosed