SCHEMBL11432089

SCHEMBL11432089

Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3cc(S(=O)(=O)O)c(O)cc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.43
▸ RAB9A P51151 5/20 0.42
▸ POLB P06746 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ TNF P01375 2/20 0.40
▸ NOD1 Q9Y239 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLA1 P09884 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ P2RX1 P51575 1/20 0.40
▸ CASP3 P42574 1/20 0.39

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
SCHEMBL11426299 0.92 KCNMA1 (0.45) KCNMA1RAB9APOLBMEN1KMT2A
SCHEMBL11438365 0.86 TNF (0.45) KCNMA1RAB9APOLBMEN1KMT2A
SCHEMBL11427501 0.85 NPC1 (0.45) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL11431542 0.85 NT5E (0.55) KCNMA1RAB9APOLBMEN1KMT2A
SCHEMBL11434202 0.84 KCNMA1 (0.43) KCNMA1RAB9APOLBMEN1KMT2A
SCHEMBL11215156 0.84 NT5E (0.54) KCNMA1RAB9APOLBMEN1KMT2A
SCHEMBL11425750 0.84 KMT2A (0.42) KCNMA1RAB9APOLBMEN1KMT2A
SCHEMBL11432085 0.84 MEN1 (0.55) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL11426457 0.82 KCNMA1 (0.48) KCNMA1RAB9APOLBMEN1KMT2A
SCHEMBL11423041 0.82 KCNMA1 (0.40) KCNMA1RAB9APOLBMEN1KMT2A

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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