SCHEMBL11437623

SCHEMBL11437623

O=C(Nc1cc(S(=O)(=O)O)cc2c(S(=O)(=O)O)ccc(S(=O)(=O)O)c12)c1cc([N+](=O)[O-])ccc1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TIMP3 P35625 4/20 0.47
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ALDH1A1 P00352 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
▸ CD40 P25942 2/20 0.44
▸ CD40LG P29965 2/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RORC P51449 5/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KCNMA1 Q12791 2/20 0.40
▸ HPSE Q9Y251 2/20 0.40
▸ ENPP3 O14638 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
SCHEMBL11432542 0.87 APEX1 (0.44) TIMP3MEN1KMT2AALDH1A1CD40
SCHEMBL11442053 0.87 APEX1 (0.44) TIMP3MEN1KMT2AALDH1A1CD40
SCHEMBL11429449 0.85 TIMP3 (0.55) TIMP3MEN1KMT2AALDH1A1USP2
SCHEMBL11432549 0.85 TIMP3 (0.55) TIMP3MEN1KMT2AALDH1A1USP2
SCHEMBL11431764 0.81 TIMP3 (0.50) TIMP3MEN1KMT2AALDH1A1USP2
SCHEMBL11636816 0.81 TIMP3 (0.47) TIMP3MEN1KMT2AALDH1A1USP2
SCHEMBL11444114 0.81 TIMP3 (0.46) TIMP3MEN1KMT2AALDH1A1USP2
SCHEMBL11444025 0.81 KMT2A (0.46) TIMP3MEN1KMT2AALDH1A1USP2
SCHEMBL11420299 0.81 TIMP3 (0.58) TIMP3MEN1KMT2AALDH1A1USP2
SCHEMBL11437960 0.81 TIMP3 (0.64) TIMP3MEN1KMT2AALDH1A1USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4229584-A Ureylenebis(anionic substituted phenylene carbonyl)imino naphthalene sulfonic acids and naphthalene carboxylic acids and their salts AMERICAN CYANAMID COMPANY (US) 1980-10-21 — — US disclosed
US-4177209-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1979-12-04 — — US disclosed
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