SCHEMBL11512704

SCHEMBL11512704

Cc1ccc(NC(=O)Nc2cccc(C(=O)Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)c2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.57
▸ TIMP3 P35625 5/20 0.57
▸ RECQL P46063 5/20 0.57
▸ HSD17B10 Q99714 5/20 0.57
▸ TDP1 Q9NUW8 5/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ USP2 O75604 2/20 0.57
▸ MAPT P10636 5/20 0.55
▸ HPSE Q9Y251 4/20 0.55
▸ PKM P14618 4/20 0.55
▸ P2RX1 P51575 3/20 0.55
▸ P2RX3 P56373 3/20 0.55
▸ BRCA1 P38398 2/20 0.55
▸ SIRT2 Q8IXJ6 2/20 0.55
▸ SIRT1 Q96EB6 2/20 0.55
▸ ENPP3 O14638 1/20 0.55
▸ ENTPD3 O75355 1/20 0.55
▸ NR1I2 O75469 1/20 0.55
▸ PRKD3 O94806 1/20 0.55

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
SCHEMBL11593406 0.92 TIMP3 (0.55) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11591753 0.92 APEX1 (0.54) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11513850 0.89 ALDH1A1 (0.46) KMT2ATDP1ALDH1A1MAPTPKM
SCHEMBL11512686 0.88 KMT2A (0.59) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11515015 0.85 KCNMA1 (0.48) KMT2ATIMP3TDP1MEN1ALDH1A1
SCHEMBL11514021 0.85 TIMP3 (0.72) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11601945 0.82 ALDH1A1 (0.52) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11514991 0.81 MAPT (0.56) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11593118 0.81 RECQL (0.61) KMT2ATIMP3RECQLHSD17B10TDP1
SCHEMBL11468420 0.81 MEN1 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4147801-A UREYLENEBIS/METHYL-PHENYLENE/UREYLENE//DI-1,3,6-NAPHTHALENE TRISULFONIC ACID AMERICAN CYANAMID COMPANY (US) 1979-04-03 — — US disclosed
US-4146640-A SULFONIC ACID AND SECONDARY AMIDE FUNCTIONAL GROUPS AMERICAN CYANAMID COMPANY (US) 1979-03-27 — — US disclosed
US-4087548-A NAPHTHALENE TRISULFONIC ACIDS AMERICAN CYANAMID COMPANY (US) 1978-05-02 — — US disclosed
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