SCHEMBL11513840

SCHEMBL11513840

Cc1ccc(NC(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1[N+](=O)[O-].[NaH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ IDH1 O75874 5/20 0.51
▸ ALDH1A1 P00352 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ PPIA P62937 1/20 0.43
▸ HPSE Q9Y251 2/20 0.43
▸ PRMT1 Q99873 2/20 0.43

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
SCHEMBL11513848 0.98 MAPT (0.53) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL11514991 0.91 MAPT (0.56) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL11593391 0.91 TIMP3 (0.53) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL11515000 0.90 MAPT (0.45) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL11512686 0.89 KMT2A (0.59) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL11513843 0.86 MAPT (0.53) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL11513523 0.85 MAPT (0.53) MAPTMEN1KMT2ALMNAIDH1
SCHEMBL11514123 0.85 MAPT (0.53) MAPTMEN1KMT2ALMNAIDH1
SCHEMBL11512361 0.84 MEN1 (0.55) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL11513850 0.82 ALDH1A1 (0.46) MAPTRAB9ASMN1; SMN2NPC1KMT2A

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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