SCHEMBL11424495

SCHEMBL11424495

O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12)c1cc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.49
▸ TIMP3 P35625 3/20 0.47
▸ MEN1 O00255 8/20 0.46
▸ KMT2A Q03164 8/20 0.46
▸ CD40 P25942 1/20 0.45
▸ CD40LG P29965 1/20 0.45
▸ ALOX5 P09917 3/20 0.44
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 1/20 0.42
▸ USP2 O75604 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 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
Lindane SCHEMBL11436245 0.94 APEX1 (0.45) APEX1TIMP3MEN1KMT2ACD40
SCHEMBL11437636 0.89 CD40 (0.57) APEX1TIMP3MEN1KMT2ACD40
SCHEMBL11513442 0.89 CD40 (0.57) APEX1TIMP3MEN1KMT2ACD40
SCHEMBL11473094 0.89 APEX1 (0.54) APEX1TIMP3MEN1KMT2ACD40
SCHEMBL11597984 0.88 APEX1 (0.65) APEX1TIMP3MEN1KMT2AALOX5
SCHEMBL11468420 0.84 MEN1 (0.55) APEX1TIMP3MEN1KMT2ACD40
SCHEMBL30478480 0.83 CD40 (0.59) APEX1TIMP3MEN1KMT2ACD40
SCHEMBL11440007 0.83 APEX1 (0.44) APEX1MEN1KMT2ACD40CD40LG
SCHEMBL11432542 0.83 APEX1 (0.44) APEX1TIMP3MEN1KMT2ACD40
SCHEMBL11442053 0.83 APEX1 (0.44) APEX1TIMP3MEN1KMT2ACD40

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4229371-A INHIBITORS OF THE COMPLEMENT SYSTEM, IMMUNOLOGY AMERICAN CYANAMID COMPANY (US) 1980-10-21 — — US disclosed
US-4132730-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1979-01-02 — — US disclosed
US-4129591-A INHIBITORS OF THE COMPLEMENT SYSTEM AMERICAN CYANAMID COMPANY (US) 1978-12-12 — — US disclosed
US-4108890-A Nitro or amino phenylenebis(carbonylimino)dinaphthalenetrisulfonic compounds as complement inhibitors AMERICAN CYANAMID COMPANY (US) 1978-08-22 — — US disclosed
US-4102917-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-07-25 — — US disclosed
US-4051176-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1977-09-27 — — US disclosed
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