SCHEMBL7258559

SCHEMBL7258559

COC(=O)c1ccc(-c2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)C(c3cnc[nH]3)C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)o1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 6/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
THRB P10828 1/20 0.36
PDE7A Q13946 1/20 0.36
PDE3A Q14432 1/20 0.36
MAPK1 P28482 1/20 0.35
NQO2 P16083 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PSMD14 O00487 1/20 0.34
PHGDH O43175 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 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
SCHEMBL7258550 0.93 KMT2A (0.40) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL7255971 0.80 NR1H4 (0.32) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL7260923 0.78 KDM4E (0.38) KMT2AMEN1MAPTALDH1A1FNTA
SCHEMBL7259659 0.73 HPGD (0.35) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL7255066 0.71 ALDH1A1 (0.36) NPC1ALDH1A1FNTA
SCHEMBL7258565 0.70 ALDH1A1 (0.39) KMT2AMEN1NPC1MAPTATM
SCHEMBL2026125 0.70 MAPT (0.65) KMT2AMEN1NPC1MAPTATM
SCHEMBL7258691 0.69 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1POLBFNTA
SCHEMBL7255242 0.68 PDK1 (0.41) KMT2AMEN1NPC1MAPTALDH1A1
SCHEMBL7260731 0.63 GAA (0.55) NPC1MAPTALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003099812-A1 PHENYL-FURAN OR PHENYL-THIOPHENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 2003-12-04 WO disclosed