SCHEMBL11507939

SCHEMBL11507939

CCOC(=O)CC(=O)c1ccc(N(C)C)nn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ MGAM O43451 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ TSHR P16473 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MIF P14174 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL17984648 0.81 CYP1A2 (0.50) GAAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11508571 0.81 GAA (0.45) GAAMGAMSIMGAM2KMT2A
SCHEMBL29036215 0.79 GAA (0.42) GAAMGAMSIMGAM2KMT2A
SCHEMBL30786543 0.75 KMT2A (0.43) GAAMGAMSIMGAM2KMT2A
SCHEMBL11529393 0.75 HTR1A (0.37) KMT2AMEN1ALDH1A1PKMTSHR
SCHEMBL23149714 0.75 KMT2A (0.43) GAAMGAMSIMGAM2KMT2A
SCHEMBL3400467 0.74 ALDH1A1 (0.44) GAAMGAMSIMGAM2KMT2A
SCHEMBL11507652 0.73 P2RX7 (0.50) GAAMGAMSIMGAM2KMT2A
SCHEMBL3943579 0.71 P2RX7 (0.54) GAAMGAMSIMGAM2KMT2A
SCHEMBL8139286 0.70 NPC1 (0.41) GAAALDH1A1KDM4EPKMTSHR

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
US-4145423-A TREATMENT OF SCHISTOSOMIASIS AND AMOEBIASIS, NEMATODES, ANTIPROTAZOA RHONE-POULENC INDUSTRIES (FR) 1979-03-20 — — US disclosed
US-4104386-A Derivatives of 1,2-dithiole and anti-bilharzia compositions thereof RHONE-POULENC INDUSTRIES (FR) 1978-08-01 — — US disclosed
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