SCHEMBL9865717

SCHEMBL9865717

N=C(NC(=O)OCc1ccccc1)c1cccc(C(=O)Nc2cccc(C(=O)NCCC(=O)OCc3ccccc3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
KDM1B Q8NB78 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48
PAX8 Q06710 1/20 0.48
NR1H4 Q96RI1 2/20 0.47
LMNA P02545 1/20 0.45

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
SCHEMBL9864590 0.95 PAX8 (0.52) KDM1AMAOAKDM1BRCOR1PAX8
SCHEMBL9335800 0.88 KMT2A (0.46) KDM1AMAOAKDM1BRCOR1PAX8
SCHEMBL9867345 0.85 NAMPT (0.52) KDM1AMAOAKDM1BRCOR1PAX8
SCHEMBL9335609 0.84 SIRT2 (0.49) KDM1AMAOAKDM1BRCOR1
SCHEMBL9865766 0.84 SIRT2 (0.49) KDM1AMAOAKDM1BRCOR1
SCHEMBL9865584 0.83 NAMPT (0.60) KDM1AMAOAKDM1BRCOR1PAX8
SCHEMBL9339505 0.83 PPARG (0.47) NR1H4
SCHEMBL9335708 0.83 NR1H4 (0.49) KDM1AMAOAKDM1BRCOR1PAX8
SCHEMBL9866050 0.83 GAA (0.54) KDM1AMAOAKDM1BRCOR1LMNA
SCHEMBL7906639 0.82 MGLL (0.42) KDM1AMAOAKDM1BRCOR1

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
US-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed