SCHEMBL6546036

SCHEMBL6546036

CCn1cc(C(=O)NCCc2ccncc2)c(=O)c2ccc(C)nc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.71
MEN1 O00255 5/20 0.71
ALDH1A1 P00352 5/20 0.71
HSD17B10 Q99714 2/20 0.71
TSHR P16473 1/20 0.71
PDE4A P27815 3/20 0.66
PDE4B Q07343 3/20 0.66
PDE4C Q08493 3/20 0.66
PDE4D Q08499 3/20 0.66
MAPK1 P28482 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
LMNA P02545 3/20 0.60
ABCC4 O15439 1/20 0.60
PKM P14618 1/20 0.60
PTGS1 P23219 1/20 0.60
POLB P06746 2/20 0.60
CYP1A2 P05177 2/20 0.58
KDM4E B2RXH2 2/20 0.58
NFKB1 P19838 1/20 0.58
BLM P54132 1/20 0.58

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
SCHEMBL10851496 0.83 KMT2A (0.77) KMT2AMEN1ALDH1A1HSD17B10TSHR
SCHEMBL10851096 0.81 KMT2A (0.74) KMT2AMEN1ALDH1A1HSD17B10TSHR
SCHEMBL10849083 0.80 KMT2A (0.76) KMT2AMEN1ALDH1A1HSD17B10TSHR
SCHEMBL13174430 0.80 KMT2A (0.74) KMT2AMEN1ALDH1A1HSD17B10TSHR
SCHEMBL7053642 0.80 PDE4A (0.72) KMT2AMEN1ALDH1A1PDE4APDE4B
SCHEMBL7056147 0.80 PDE4A (0.60) KMT2AMEN1ALDH1A1PDE4APDE4B
SCHEMBL7055488 0.80 PDE4A (0.77) KMT2AMEN1ALDH1A1PDE4APDE4B
SCHEMBL10851472 0.80 KMT2A (0.71) KMT2AMEN1ALDH1A1HSD17B10TSHR
SCHEMBL6547514 0.80 PDE4A (1.00) KMT2AMEN1ALDH1A1HSD17B10PDE4A
Hydrochloric Acid SCHEMBL7051870 0.79 PDE4A (0.76) KMT2AMEN1ALDH1A1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841927-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2004-01-28 EP claimed
US-5753666-A Quinolones and their therapeutic use CHIROSCIENCE LIMITED (GB) 1998-05-19 US claimed
EP-0841927-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2004-01-28 EP disclosed
US-6541480-B2 Controlling cytokines SUNTORY LIMITED (JP) 2003-04-01 US disclosed
US-6297248-B1 1-aryl-1,8-naphthylidin-4-one derivative as type IV phosphodiesterase inhibitor SUNTORY LIMITED (JP) 2001-10-02 US disclosed
US-5753666-A Quinolones and their therapeutic use CHIROSCIENCE LIMITED (GB) 1998-05-19 US disclosed