SCHEMBL11423367

SCHEMBL11423367

Cc1ccc(C(=O)Nc2ccc3c(O)cccc3c2S(=O)(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.61
▸ MEN1 O00255 6/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ MAPT P10636 6/20 0.56
▸ POLB P06746 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ CTDSP1 Q9GZU7 1/20 0.54
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ LMNA P02545 5/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ SAE1 Q9UBE0 1/20 0.49
▸ UBA2 Q9UBT2 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL11433673 0.93 HPGD (0.52) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11426750 0.87 MEN1 (0.60) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11423176 0.85 MEN1 (0.53) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11437122 0.85 HPGD (0.66) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11430423 0.84 SMN1; SMN2 (0.60) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11442222 0.84 RAB9A (0.59) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11431850 0.84 HPGD (0.62) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11426047 0.84 HPGD (0.62) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11422937 0.84 NPC1 (0.58) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL10907766 0.83 ALDH1A1 (0.43) HPGDMEN1KMT2ANPC1RAB9A

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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