SCHEMBL7701540

SCHEMBL7701540

CCc1cc[c]c(NC(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.40
PLK1 P53350 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.35
HSD17B10 Q99714 1/20 0.35
SIGMAR1 Q99720 5/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34

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
SCHEMBL6937148 0.85 MAOA (0.40) PLK1ALDH1A1KMT2AMEN1GAA
SCHEMBL9809965 0.77 KIF11 (0.42) ALDH1A1KMT2AMEN1HSD17B10HPGD
SCHEMBL7063953 0.75 DDX3X (0.36) IKBKBALDH1A1KMT2AMEN1GAA
SCHEMBL2895076 0.73 PARP1 (0.41) IKBKBALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6337960 0.70 MGLL (0.42) IKBKBGAAMAPTHDAC3HDAC1
SCHEMBL7495051 0.69 LOXL2 (0.40) ALDH1A1KMT2AGAAMAPTHSD17B10
SCHEMBL5031452 0.69 SIGMAR1 (0.60) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL6610027 0.68 SMN1; SMN2 (0.38) IKBKBALDH1A1KMT2AMAPTSIGMAR1
SCHEMBL7491203 0.68 BCL2 (0.45) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL8884369 0.68 SIGMAR1 (0.61) ALDH1A1KMT2AMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037871-B1 NOVEL ANTIARRHYTHMIC COMPOUNDS GYOGYSZERKUTATO INTEZET (HU) 2002-07-03 EP disclosed
US-6265445-B1 CARDIOVASCULAR DISORDERS GYOGYSZERKUTATO INTEZET KFT (HU) 2001-07-24 US disclosed
US-4766213-A 1,4-dihydropyridines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-08-23 US disclosed
EP-0237695-A2 1,4-Dihydropyridines MERCK PATENT GmbH (DE) 1987-09-23 EP disclosed