SCHEMBL31722454

SCHEMBL31722454

O=C(Nc1cccc(C(=O)Nc2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)cccc3c2S(=O)(=O)O)c1)Nc1cccc(C(=O)Nc2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)cccc3c2S(=O)(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
TIMP3 P35625 4/20 0.54
RECQL P46063 4/20 0.54
HSD17B10 Q99714 4/20 0.54
TDP1 Q9NUW8 4/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 3/20 0.54
USP2 O75604 2/20 0.54
HPSE Q9Y251 9/20 0.48
MAPT P10636 3/20 0.48
PKM P14618 3/20 0.48
P2RX1 P51575 3/20 0.48
P2RX3 P56373 3/20 0.48
SIRT1 Q96EB6 2/20 0.48
ENPP3 O14638 1/20 0.48
ENTPD3 O75355 1/20 0.48
NR1I2 O75469 1/20 0.48
PRKD3 O94806 1/20 0.48
TDP2 O95551 1/20 0.48
CBX7 O95931 1/20 0.48

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
SCHEMBL11765219 0.83 TIMP3 (0.62) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11342918 0.81 KMT2A (0.54) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11766279 0.81 KMT2A (0.56) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11766235 0.81 KMT2A (0.54) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11339069 0.80 KMT2A (0.53) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11419061 0.80 TIMP3 (0.55) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11347519 0.79 KMT2A (0.52) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11341082 0.78 KMT2A (0.53) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11350543 0.77 KMT2A (0.52) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11335520 0.77 TIMP3 (0.63) KMT2ATIMP3RECQLHSD17B10TDP1

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-2025229484-A1 PURINERGIC P2 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF CONGENITAL SIDEROBLASTIC ANEMIAS UNIVERSITÀ DEGLI STUDI DI BARI ALDO MORO (IT) 2025-11-06 WO disclosed