SCHEMBL11402840

SCHEMBL11402840

Cc1ccc(NC(=O)Nc2ccc(C)c(C(=O)Nc3ccc(C)c(S(=O)(=O)Nc4cc(S(=O)(=O)O)cc5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)c3)c2)cc1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 18/20 0.48
▸ TIMP3 P35625 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ ENPP3 O14638 1/20 0.44
▸ ENTPD3 O75355 1/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ TDP2 O95551 1/20 0.44
▸ CBX7 O95931 1/20 0.44
▸ NSD2 O96028 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ PRKCG P05129 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ PRKCB P05771 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HSPD1 P10809 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL11443911 0.95 IDH1 (0.47) IDH1TIMP3MEN1ENPP3ENTPD3
SCHEMBL11431457 0.92 IDH1 (0.55) IDH1
SCHEMBL11416598 0.90 CASP6 (0.41) IDH1TIMP3MEN1ENPP3ENTPD3
SCHEMBL11512944 0.89 TIMP3 (0.52) IDH1TIMP3MEN1ENPP3ENTPD3
SCHEMBL11415433 0.88 TIMP3 (0.59) IDH1TIMP3MEN1ENPP3ENTPD3
SCHEMBL11432048 0.87 CASP6 (0.40) IDH1TIMP3MEN1ENPP3ENTPD3
SCHEMBL11441871 0.87 HPSE (0.45) IDH1TIMP3MEN1ENPP3ENTPD3
SCHEMBL11437296 0.84 MEN1 (0.50) IDH1MEN1MAPTKDRKMT2A
SCHEMBL11512326 0.82 TIMP3 (0.45) TIMP3MEN1ENPP3ENTPD3NR1I2
SCHEMBL11437498 0.82 TIMP3 (0.59) IDH1TIMP3MEN1ENPP3ENTPD3

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
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 claimed
US-4229370-A INHIBITORS OF THE COMPLEMENT SYSTEM, IMMUNOLOGY AMERICAN CYANAMID COMPANY (US) 1980-10-21 — — US disclosed
US-4215121-A Pyrazine substituted ureas MERCK & CO., INC. (US) 1980-07-29 — — US disclosed
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-4155930-A Ureylene phenylene anionic naphthalenesulfonic acids AMERICAN CYANAMID COMPANY (US) 1979-05-22 — — US disclosed
US-4144338-A N-pyrimidinyl-N-dialkylaminoalkyl ureas MERCK & CO., INC. (US) 1979-03-13 — — US disclosed
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