SCHEMBL10908320

SCHEMBL10908320

O=C(Nc1cccc(C(=O)Nc2c(O)cc(S(=O)(=O)O)c3ccccc23)c1)C(=O)Nc1cccc(C(=O)Nc2c(O)cc(S(=O)(=O)O)c3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.45
MEN1 O00255 6/20 0.45
TIMP3 P35625 3/20 0.45
USP2 O75604 2/20 0.45
RECQL P46063 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
PKM P14618 2/20 0.42
TOP1 P11387 2/20 0.42
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42
KCNK3 O14649 2/20 0.41
KCNK9 Q9NPC2 2/20 0.41
MITF O75030 1/20 0.41
MAPK1 P28482 1/20 0.41
MPL P40238 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL11341082 0.93 KMT2A (0.53) KMT2AMEN1TIMP3USP2RECQL
SCHEMBL10908295 0.91 KMT2A (0.45) KMT2AMEN1TIMP3USP2RECQL
SCHEMBL10907950 0.89 MEN1 (0.47) KMT2AMEN1TIMP3USP2RECQL
SCHEMBL10907905 0.88 MPL (0.48) KMT2AMEN1TIMP3RECQLMPL
SCHEMBL9343077 0.86 MPL (0.50) MPLNSD2CCR8
SCHEMBL10907792 0.85 KMT2A (0.47) KMT2AMEN1TIMP3USP2RECQL
SCHEMBL11424878 0.84 KDM4E (0.49) KMT2AMEN1HSD17B10ALDH1A1MPL
SCHEMBL11339069 0.83 KMT2A (0.53) KMT2AMEN1TIMP3USP2RECQL
SCHEMBL10909358 0.83 KMT2A (0.50) KMT2AMEN1TIMP3USP2RECQL
SCHEMBL10905547 0.82 NPC1 (0.47) KMT2AMEN1TIMP3USP2RECQL

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-4599204-A Oxalylamides useful as dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-08 US disclosed