SCHEMBL20052941

SCHEMBL20052941

Nc1ccc([C@H]2C[C@@H]2N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 16/20 0.62
▸ MAOB P27338 11/20 0.62
▸ KCNH2 Q12809 3/20 0.62
▸ RCOR1 Q9UKL0 3/20 0.62
▸ KDM1B Q8NB78 2/20 0.62
▸ MAOA P21397 7/20 0.61
▸ CYP2C19 P33261 4/20 0.61
▸ CYP2B6 P20813 3/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ CYP2D6 P10635 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ TAAR1 Q96RJ0 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ HTR1A P08908 1/20 0.61
▸ ADRA2A P08913 1/20 0.61
▸ CYP2A6 P11509 1/20 0.61
▸ SLC6A2 P23975 1/20 0.61
▸ HTR2C P28335 1/20 0.61
▸ ADRA1A P35348 1/20 0.61

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
SCHEMBL24133996 1.00 KDM1A (0.62) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL16019172 0.77 KDM1A (1.00) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL1524385 0.77 KDM1A (0.87) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL7509163 0.77 KDM1A (0.60) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL17984427 0.77 KDM1A (1.00) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL1800003 0.77 KDM1A (1.00) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL18023261 0.77 KDM1A (1.00) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL13348123 0.77 MEN1 (0.40) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL21101634 0.77 KDM1A (0.60) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL13769735 0.77 MEN1 (0.40) KDM1AMAOBKCNH2RCOR1KDM1B

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
US-9944589-B2 Cycloproplyamine derivatives useful as inhibitors of histone demethylases KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2018-04-17 — — US disclosed
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