SCHEMBL11468420

SCHEMBL11468420

O=C(Nc1cccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.55
▸ KMT2A Q03164 7/20 0.55
▸ TIMP3 P35625 3/20 0.55
▸ USP2 O75604 2/20 0.55
▸ RECQL P46063 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ MAPT P10636 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ SIRT2 Q8IXJ6 2/20 0.51
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50

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
SCHEMBL11473094 0.95 APEX1 (0.54) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL30478480 0.93 CD40 (0.59) MEN1KMT2ATIMP3TDP1ALDH1A1
SCHEMBL11601945 0.87 ALDH1A1 (0.52) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL30388503 0.87 KMT2A (0.75) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL11514021 0.85 TIMP3 (0.72) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL10412672 0.85 APEX1 (0.69) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL11424495 0.84 APEX1 (0.49) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL11765604 0.84 KMT2A (0.65) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL11511236 0.84 TIMP3 (0.59) MEN1KMT2ATIMP3USP2RECQL
SCHEMBL11513442 0.83 CD40 (0.57) MEN1KMT2ATIMP3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0008154-A1 Ureylene phenylene anionic naphthalene-sulfonic acids, their use as complement system inhibitors in a body fluid and process for their preparation AMERICAN CYANAMID COMPANY (US) 1980-02-20 — — EP disclosed
US-4180587-A Ureylene phenylene anionic naphthalenesulfonic acids as complement inhibitors AMERICAN CYANAMID COMPANY (US) 1979-12-25 — — US disclosed
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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