SCHEMBL11425278

SCHEMBL11425278

Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3ccc(O)cc23)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.51
▸ POLB P06746 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ CD40 P25942 1/20 0.48
▸ CD40LG P29965 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ LMNA P02545 5/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ SIRT3 Q9NTG7 1/20 0.45

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
SCHEMBL11439163 0.96 MEN1 (0.56) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11425397 0.92 ALDH1A1 (0.48) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11442251 0.88 ALDH1A1 (0.48) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11422002 0.87 ALDH1A1 (0.60) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11431789 0.85 HPGD (0.60) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11426103 0.84 CD40 (0.66) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11426200 0.83 MEN1 (0.46) SMN1; SMN2MEN1KMT2ARAB9AHPGD
SCHEMBL11423101 0.83 ALDH1A1 (0.60) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11437122 0.83 HPGD (0.66) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL11431309 0.83 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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