SCHEMBL830750

SCHEMBL830750

O=C(Nc1cccc2ccccc12)N1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.74
HSD17B10 Q99714 7/20 0.74
ALDH1A1 P00352 7/20 0.74
TSHR P16473 2/20 0.74
POLB P06746 2/20 0.70
LMNA P02545 2/20 0.65
KMT2A Q03164 2/20 0.65
MAPK1 P28482 2/20 0.65
USP2 O75604 1/20 0.65
ALOX15 P16050 1/20 0.65
TAAR1 Q96RJ0 1/20 0.64
PKM P14618 2/20 0.64
NPSR1 Q6W5P4 1/20 0.61
MEN1 O00255 1/20 0.58
SHMT2 P34897 1/20 0.57

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
SCHEMBL6852418 0.98 KDM4E (0.76) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL27979659 0.92 KDM4E (0.85) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL2677273 0.86 KDM4E (0.63) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL4729693 0.85 KDM4E (0.59) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL1574588 0.85 KDM4E (0.62) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL1575064 0.85 KDM4E (0.62) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL2384053 0.85 KDM4E (0.70) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL20887176 0.85 KDM4E (0.70) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL1623839 0.85 KDM4E (1.00) KDM4EHSD17B10ALDH1A1TSHRPOLB
SCHEMBL2677588 0.85 KDM4E (0.68) KDM4EHSD17B10ALDH1A1TSHRPOLB

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
WO-2019071104-A1 COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF HYPERAMMONEMIA CHILDREN'S NATIONAL MEDICAL CENTER (US) 2019-04-11 WO disclosed
US-8143257-B2 inhibiting angiogenesis; cancer, diabetic retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, chronic inflammation or exudative macular degeneration; 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carboxylic acid 1-bromo-naphthalen-2-yl ester PTC THERAPEUTICS, INC. (US) 2012-03-27 US disclosed