SCHEMBL21037372

SCHEMBL21037372

CCCN1CC(=O)Nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.63
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 4/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CASP3 P42574 1/20 0.49
CASP2 P42575 1/20 0.49
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PPARG P37231 1/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL7044848 0.89 EPHX2 (0.58) EPHX2KMT2AALDH1A1KDM4EHDAC2
SCHEMBL14218702 0.87 EPHX2 (0.67) EPHX2KMT2AALDH1A1KDM4EHDAC2
SCHEMBL15332367 0.81 EPHX2 (0.60) EPHX2KMT2AALDH1A1KDM4EHDAC2
SCHEMBL24359573 0.81 EPHX2 (0.56) EPHX2KMT2AALDH1A1KDM4EHDAC2
SCHEMBL14067244 0.80 EPHX2 (0.67) EPHX2KMT2AALDH1A1KDM4EHDAC2
SCHEMBL29579887 0.79 EPHX2 (0.57) EPHX2KMT2AALDH1A1KDM4EHDAC2
SCHEMBL2629391 0.78 EPHX2 (0.54) EPHX2KMT2AALDH1A1CASP3CASP2
SCHEMBL29778121 0.77 EPHX2 (1.00) EPHX2KMT2AALDH1A1KDM4EHDAC2
SCHEMBL4705905 0.77 EPHX2 (0.68) EPHX2KMT2AALDH1A1KDM4EHDAC2
SCHEMBL24200101 0.77 EPHX2 (1.00) EPHX2KMT2AALDH1A1KDM4EHDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111430575-A Organic electroluminescent device and display device including the same 三星显示有限公司 2020-07-17 CN disclosed
WO-2019102240-A1 METHOD FOR THE MANUFACTURE OF LUMATEPERONE AND ITS SALTS EGIS GYÓGYSZERGYÁR ZRT. (HU) 2019-05-31 WO disclosed