SCHEMBL10909358

SCHEMBL10909358

O=C(Nc1cccc(C(=O)Nc2cc(S(=O)(=O)O)c3ccccc3c2O)c1)C(=O)Nc1cccc(C(=O)Nc2cc(S(=O)(=O)O)c3ccccc3c2O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
RECQL P46063 4/20 0.50
HSD17B10 Q99714 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
TIMP3 P35625 3/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 3/20 0.50
USP2 O75604 2/20 0.50
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CCR8 P51685 1/20 0.44
HPSE Q9Y251 4/20 0.44
MAPT P10636 3/20 0.44
PKM P14618 3/20 0.44
P2RX1 P51575 3/20 0.44
P2RX3 P56373 3/20 0.44
ENPP3 O14638 1/20 0.44
ENTPD3 O75355 1/20 0.44
NR1I2 O75469 1/20 0.44
PRKD3 O94806 1/20 0.44

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
SCHEMBL11343207 0.93 KMT2A (0.58) KMT2ARECQLHSD17B10TDP1TIMP3
SCHEMBL10909467 0.91 KMT2A (0.50) KMT2ARECQLHSD17B10TDP1TIMP3
SCHEMBL10908602 0.89 KMT2A (0.54) KMT2ARECQLHSD17B10TDP1TIMP3
SCHEMBL10907534 0.88 CD40 (0.50) KMT2ATIMP3MEN1CCR8PRMT1
SCHEMBL10907796 0.85 KMT2A (0.49) KMT2ARECQLHSD17B10TDP1TIMP3
SCHEMBL10907632 0.85 KMT2A (0.52) KMT2ARECQLHSD17B10TDP1TIMP3
SCHEMBL11427817 0.84 HSD17B10 (0.50) KMT2ARECQLHSD17B10TDP1TIMP3
SCHEMBL11349457 0.83 KMT2A (0.58) KMT2ARECQLHSD17B10TDP1TIMP3
SCHEMBL10908320 0.83 KMT2A (0.45) KMT2ARECQLHSD17B10TDP1TIMP3
SCHEMBL11335520 0.82 TIMP3 (0.63) KMT2ARECQLHSD17B10TDP1TIMP3

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