SCHEMBL11743378

SCHEMBL11743378

Cc1ccccc1-c1ccccc1NC(=O)Cl.O=C(Cl)N(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.42
▸ ALDH1A1 P00352 7/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ DDX3X O00571 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL11743373 0.84 ALDH1A1 (0.47) RORCALDH1A1KMT2AMEN1MAPT
SCHEMBL11612271 0.79 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1CRHBPATM
SCHEMBL11743333 0.79 ALDH1A1 (0.49) RORCALDH1A1KMT2AMEN1CRHBP
SCHEMBL11613744 0.77 NPC1 (0.50) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL11612279 0.74 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL24393521 0.74 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1CRHBPATM
SCHEMBL21247872 0.68 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1CRHBPATM
SCHEMBL5107006 0.68 RAB9A (0.53) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL17796945 0.68 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL17289272 0.68 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPTNPC1

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-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 — — US disclosed
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