SCHEMBL8061310

SCHEMBL8061310

O=C(O)Oc1ccccc1-c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.44
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPT P10636 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ PHLPP2 Q6ZVD8 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ABCB1 P08183 4/20 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
SCHEMBL8061307 1.00 CASP6 (0.44) CASP6CRHBPCRHR2ALDH1A1TDP1
SCHEMBL8061304 0.90 CASP6 (0.41) CASP6CRHBPCRHR2ALDH1A1TDP1
SCHEMBL8065636 0.81 POLB (0.51) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL27986575 0.81 ALDH1A1 (0.57) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL8065631 0.81 POLB (0.51) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL1639309 0.80 ALDH1A1 (0.53) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL8063665 0.80 AKR1C3 (0.53) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL8063663 0.80 AKR1C3 (0.53) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL27939312 0.78 ALDH1A1 (0.63) CASP6CRHBPCRHR2ALDH1A1TDP1
SCHEMBL27585698 0.78 CASP6 (0.51) CASP6CRHBPCRHR2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143917-A FROM A DIARYL CARBONATE AND AN AMINE COMPOUND HAVING AT LEAST ONE HYDROGEN ATOM LOCATED AT AN N-POSITION UNDER MODERATE CONDITIONS AT A HIGH REACTION RATE WITH A HIGH SELECTIVITY AND WITH A HIGH YIELD UBE INDUSTRIES, LTD. (JP) 2000-11-07 — — US disclosed
EP-0902014-A1 PROCESS FOR PRODUCING ARYL CARBAMATES UBE INDUSTRIES LIMITED (JP) 1999-03-17 — — EP disclosed
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