SCHEMBL10883279

SCHEMBL10883279

O=[C]c1cnc2cccnc2c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.39
HSP90AA1 P07900 6/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
TDP1 Q9NUW8 5/20 0.36
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
IDO1 P14902 2/20 0.36
XBP1 P17861 1/20 0.36
MMP2 P08253 2/20 0.35
TSHR P16473 2/20 0.35
CHRM1 P11229 1/20 0.35
COMT P21964 1/20 0.35
ADRA1A P35348 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35

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
SCHEMBL30818296 0.83 KCNMA1 (0.41) KDM4EHSP90AA1ALDH1A1MEN1KMT2A
SCHEMBL6643350 0.83 KCNMA1 (0.41) KDM4EHSP90AA1ALDH1A1MEN1KMT2A
SCHEMBL12663631 0.76 KDM4E (0.50) KDM4EHSP90AA1ALDH1A1MEN1KMT2A
SCHEMBL2010937 0.74 ALDH1A1 (0.40) KDM4EHSP90AA1ALDH1A1MEN1KMT2A
SCHEMBL11926273 0.73 HTT (0.46) KDM4EHSP90AA1ALDH1A1MEN1KMT2A
SCHEMBL3344781 0.73 KDM4E (0.46) KDM4EHSP90AA1ALDH1A1MEN1KMT2A
SCHEMBL2706312 0.73 HSP90AA1 (0.58) KDM4EHSP90AA1ALDH1A1MEN1KMT2A
SCHEMBL11170566 0.72 KDM4E (0.54) KDM4EHSP90AA1ALDH1A1MEN1KMT2A
SCHEMBL3249138 0.72 ALDH1A1 (0.58) KDM4EALDH1A1TDP1MAPTL3MBTL1
SCHEMBL11926120 0.72 COMT (0.40) KDM4EHSP90AA1ALDH1A1MEN1KMT2A

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
EP-0034759-B1 CHROMOGEN CEPHALOSPORINS AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1986-01-02 EP claimed
US-4416884-A ANTIBIOTIC, BACTERICIDE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-22 US disclosed