SCHEMBL14255190

SCHEMBL14255190

COC(=O)c1cc2ccccc2c(=O)c2ncc([N+](=O)[O-])cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 7/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ANO1 Q5XXA6 1/20 0.41
▸ ANO2 Q9NQ90 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ POLB P06746 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ CTRB1 P17538 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL14255194 0.88 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL14255197 0.82 KDM4E (0.48) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL14255204 0.81 KDM4E (0.47) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL14255187 0.78 KDM4E (0.57) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL14255504 0.78 CHEK1 (0.44) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL2152969 0.77 TSHR (0.54) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9077944 0.75 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9039057 0.72 ALOX5 (0.48) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL14255198 0.72 KDM4E (0.45) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL14255189 0.71 KDM4E (0.53) MEN1KMT2AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 — — US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 — — US disclosed
EP-1313725-B1 TRICYCLIC ANTITUMOR COMPOUNDS BEING FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORP (US) 2007-04-11 — — EP disclosed
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