SCHEMBL10893198

SCHEMBL10893198

CCC(Nc1cc([N+](=O)[O-])ccc1Cl)P(=O)(CC)OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RORC P51449 2/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL10896678 0.77 POLB (0.47) MEN1KMT2APOLBMAPTLMNA
SCHEMBL10891727 0.70 MEN1 (0.48) MEN1KMT2APOLBMAPTRORC
SCHEMBL28182819 0.70 MEN1 (0.56) MEN1KMT2APOLBMAPTRORC
SCHEMBL10895251 0.69 MEN1 (0.50) MEN1KMT2APOLBMAPTLMNA
SCHEMBL10892928 0.69 POLB (0.52) MEN1KMT2APOLBMAPTLMNA
Hydrochloric Acid SCHEMBL10891730 0.68 MEN1 (0.49) MEN1KMT2APOLBMAPTLMNA
SCHEMBL4361693 0.68 HSD17B10 (0.60) MEN1KMT2APOLBMAPTPDK1
SCHEMBL1815770 0.66 PKM (0.65) MEN1KMT2APOLBMAPTRORC
SCHEMBL9119558 0.65 POLB (0.66) MEN1KMT2APOLBMAPTLMNA
SCHEMBL9122336 0.65 HSD17B10 (0.60) MEN1KMT2APOLBMAPTLMNA

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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