SCHEMBL11352759

SCHEMBL11352759

CC(=O)N1CCc2c3n(c4ccccc24)CN(C)CCC31

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.48
▸ GAA P10253 3/20 0.48
▸ ALDH1A1 P00352 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ TDP2 O95551 1/20 0.45
▸ NSD2 O96028 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ ABCB1 P08183 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ USP2 O75604 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SMPD1 P17405 1/20 0.37
▸ YAP1 P46937 1/20 0.36

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
SCHEMBL11355122 0.83 KDM4E (0.51) KDM4EGAAALDH1A1KMT2AHSD17B10
SCHEMBL11354521 0.81 KDM4E (0.47) KDM4EGAAALDH1A1KMT2AHSD17B10
SCHEMBL11362481 0.71 HSD17B10 (0.60) KDM4EGAAALDH1A1KMT2AHSD17B10
SCHEMBL11174540 0.69 TP53 (0.39) KDM4EALDH1A1KMT2AHSD17B10MAPT
SCHEMBL30148104 0.68 ABCB1 (0.50) KDM4EGAAALDH1A1KMT2AHSD17B10
SCHEMBL10854543 0.68 HTR7 (0.44) KDM4EALDH1A1KMT2AHSD17B10MAPT
SCHEMBL10851703 0.68 ABCB1 (0.41) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL10859924 0.67 ABCB1 (0.38) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL10854607 0.67 ABCB1 (0.39) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL10851137 0.67 HTR5A (0.40) KDM4EGAAALDH1A1KMT2AHSD17B10

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-4277476-A ANTI-ANOXIA AND PSYCHOTROPIC AGENTS SYNTHELABO (FR) 1981-07-07 — — US disclosed
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