SCHEMBL11268929

SCHEMBL11268929

O=Cc1ccc([N+](=O)[O-])c2cc3ccccc3cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ERN1 O75460 5/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HPRT1 P00492 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL29708012 0.82 TDP1 (0.57) ALDH1A1ERN1TDP1TSHRHPRT1
SCHEMBL2030842 0.82 TDP1 (0.57) ALDH1A1ERN1TDP1TSHRHPRT1
SCHEMBL984194 0.82 KMT2A (0.50) ALDH1A1MEN1KMT2AERN1TDP1
SCHEMBL11284187 0.80 ERN1 (0.56) ALDH1A1MEN1RAB9AKMT2AERN1
SCHEMBL3164372 0.79 ALDH1A1 (0.51) ALDH1A1MEN1RAB9AKMT2AERN1
SCHEMBL11058082 0.76 CTSB (0.68) ALDH1A1MEN1RAB9AKMT2ATDP1
SCHEMBL11436046 0.76 ALDH1A1 (0.52) ALDH1A1MEN1RAB9AKMT2ATDP1
SCHEMBL9763412 0.75 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AERN1TDP1
SCHEMBL579426 0.73 ALDH1A1 (0.68) ALDH1A1MEN1RAB9AKMT2ATDP1
SCHEMBL30696914 0.73 ALDH1A1 (0.68) ALDH1A1MEN1RAB9AKMT2ATDP1

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-4344956-A Oxotetrahydrothiophenes ERCOLI NICOLO 1982-08-17 — — US disclosed
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