SCHEMBL21765387

SCHEMBL21765387

CC1(N)C(c2ccccc2)=CC(c2ccccc2)=CC1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 14/20 0.39
MAOA P21397 14/20 0.39
MAOB P27338 14/20 0.39
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC9A1 P19634 1/20 0.30

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
SCHEMBL20751817 0.72 KDM1A (0.39) KDM1AMAOAMAOBMEN1GAA
SCHEMBL29101226 0.67 KDM1A (0.33) KDM1AMAOAMAOBMEN1GAA
SCHEMBL27842876 0.63 GAA (0.32) MEN1GAAKMT2A
SCHEMBL4328899 0.61 MAOA (0.44) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL3898053 0.61 ALDH1A1 (0.42) KDM1AMAOAMAOBMEN1GAA
SCHEMBL14663683 0.61 CFTR (0.39) MEN1KMT2A
SCHEMBL24503992 0.60 ALDH1A1 (0.38) MAOAMEN1GAAKMT2A
SCHEMBL21764139 0.60 CFTR (0.35) KDM1AMAOAMAOB
SCHEMBL1153469 0.59 KDM1A (0.44) KDM1AMAOAMAOB
SCHEMBL21698293 0.57

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-3395823-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-02-26 EP disclosed