SCHEMBL9837196

SCHEMBL9837196

O=C(Cl)N(Br)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ TLR9 Q9NR96 1/20 0.47
▸ CES1 P23141 2/20 0.47
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ GSK3B P49841 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ FBP1 P09467 1/20 0.43
▸ MAOB P27338 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL24393521 0.81 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL9836813 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL9836362 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL11844605 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL4584527 0.76 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL11612271 0.75 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL7241947 0.74 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL9834305 0.74 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL11541885 0.74 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL20560685 0.72 CES2 (0.39) ALDH1A1MEN1KMT2ACES1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 — — EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 — — US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 — — US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 — — EP disclosed
Send feedback