SCHEMBL10892928

SCHEMBL10892928

CCP(=O)(CNc1cc([N+](=O)[O-])ccc1Cl)OCC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RORC P51449 2/20 0.42
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ LMNA P02545 2/20 0.41

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
SCHEMBL10896678 0.85 POLB (0.47) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL10895251 0.78 MEN1 (0.50) POLBMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL10891730 0.77 MEN1 (0.49) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL10891727 0.77 MEN1 (0.48) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL28182819 0.72 MEN1 (0.56) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL10893198 0.69 MEN1 (0.46) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL9404937 0.69 MEN1 (0.56) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL1815770 0.69 PKM (0.65) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL7778630 0.68 MAPT (0.66) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL14439930 0.68 POLB (0.50) POLBMEN1KMT2AALDH1A1MAPT

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-4613675-A HERBICIDES SANDOZ LTD. (CH) 1986-09-23 — — US disclosed
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