SCHEMBL6718396

SCHEMBL6718396

Cc1nc(/C=C/C(=O)O)c[nH]1.[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
LMNA P02545 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 4/20 0.37
MAP3K7 O43318 1/20 0.35
TAB1 Q15750 1/20 0.35
GAA P10253 2/20 0.35
HCAR2 Q8TDS4 2/20 0.34
HDAC3 O15379 1/20 0.34
TNKS O95271 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 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
SCHEMBL6181311 0.98 KDM4E (0.41) KDM4ELMNABLMNPSR1CYP3A4
SCHEMBL1902161 0.98 KDM4E (0.41) KDM4ELMNABLMNPSR1CYP3A4
SCHEMBL9032838 0.79 KMT2A (0.47) KDM4EALDH1A1MAP3K7TAB1GAA
SCHEMBL7318845 0.79 MAP3K7 (0.39) MAP3K7TAB1
SCHEMBL10540316 0.79 MAP3K7 (0.39) MAP3K7TAB1
SCHEMBL9326981 0.78 KDM4E (0.46) KDM4ELMNABLMNPSR1CYP3A4
SCHEMBL6181182 0.77 CA12 (0.46) KDM4ECYP3A4ALDH1A1GAAHCAR2
SCHEMBL6726458 0.77 CA12 (0.46) KDM4ECYP3A4ALDH1A1GAAHCAR2
SCHEMBL9129568 0.76 KDM4E (0.41) KDM4ELMNABLMNPSR1CYP3A4
SCHEMBL31324241 0.76 KDM4E (0.41) KDM4ELMNABLMNPSR1CYP3A4

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-1439885-A1 SIMPLIFIED SARCODICTYN DERIVATIVES AS ANTI-TUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-07-28 EP disclosed
WO-2003024529-A1 SIMPLIFIED SARCODICTYN DERIVATIVES AS ANTI-TUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-03-27 WO disclosed