SCHEMBL10907792

SCHEMBL10907792

O=C(Nc1cccc(C(=O)Nc2c(S(=O)(=O)O)ccc3c(O)cccc23)c1)C(=O)Nc1cccc(C(=O)Nc2c(S(=O)(=O)O)ccc3c(O)cccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
MEN1 O00255 5/20 0.47
RECQL P46063 4/20 0.47
HSD17B10 Q99714 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
TIMP3 P35625 3/20 0.47
ALDH1A1 P00352 3/20 0.47
USP2 O75604 2/20 0.47
TNNI3 P19429 1/20 0.43
TNNT2 P45379 1/20 0.43
TNNC1 P63316 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
HPSE Q9Y251 4/20 0.42
PKM P14618 4/20 0.41
MAPT P10636 3/20 0.41
P2RX1 P51575 3/20 0.41
P2RX3 P56373 3/20 0.41
ENPP3 O14638 1/20 0.41
ENTPD3 O75355 1/20 0.41
NR1I2 O75469 1/20 0.41

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
SCHEMBL11337777 0.93 TIMP3 (0.54) KMT2AMEN1RECQLHSD17B10TDP1
SCHEMBL10908295 0.89 KMT2A (0.45) KMT2AMEN1RECQLHSD17B10TDP1
SCHEMBL10909346 0.89 CD40 (0.43) KMT2AMEN1RECQLTIMP3TNNI3
SCHEMBL10907950 0.86 MEN1 (0.47) KMT2AMEN1RECQLHSD17B10TDP1
SCHEMBL10907462 0.86 TNNI3 (0.53) KMT2AMEN1RECQLHSD17B10TDP1
SCHEMBL11440921 0.85 ALDH1A1 (0.48) KMT2AMEN1RECQLHSD17B10TDP1
SCHEMBL10908320 0.85 KMT2A (0.45) KMT2AMEN1RECQLHSD17B10TDP1
SCHEMBL10905262 0.83 BRAF (0.40) KMT2AMEN1RECQLHSD17B10TDP1
SCHEMBL10908081 0.83 KMT2A (0.46) KMT2AMEN1RECQLHSD17B10TDP1
SCHEMBL11339069 0.82 KMT2A (0.53) KMT2AMEN1RECQLHSD17B10TDP1

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