SCHEMBL9224978

SCHEMBL9224978

CC1=CC(C)(N)C=C(C)C1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 14/20 0.47
MAOA P21397 14/20 0.47
MAOB P27338 14/20 0.47
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL3679608 0.84 MAOA (0.43) KDM1AMAOAMAOBKDM4EGAA
SCHEMBL21847487 0.80 MAOA (0.32) KDM1AMAOAMAOB
SCHEMBL8734945 0.71 MAPT (0.34) KDM1AMAOAMAOBKDM4EGAA
SCHEMBL1432099 0.70 MAPT (0.33) KDM1AMAOAMAOBKDM4EGAA
SCHEMBL3223717 0.69 CYP1A2 (0.42) KDM1AMAOAMAOBKDM4EGAA
SCHEMBL9250732 0.69 CYP1A2 (0.42) KDM1AMAOAMAOBKDM4EGAA
SCHEMBL23465403 0.64 KDM1A (1.00) KDM1AMAOAMAOB
SCHEMBL15767313 0.64 KDM1A (1.00) KDM1AMAOAMAOB
SCHEMBL10375585 0.64 ALDH1A1 (0.50) KDM1AMAOAMAOBKDM4EGAA
SCHEMBL15541945 0.64 KDM1A (1.00) KDM1AMAOAMAOB

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-5447916-A Hypotensive agents CHIRON CORPORATION (US) 1995-09-05 US disclosed