SCHEMBL10891727

SCHEMBL10891727

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.45
▸ RORC P51449 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ PDK1 Q15118 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ PDK3 Q15120 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 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
SCHEMBL10895251 0.85 MEN1 (0.50) MEN1KMT2APOLBHSD17B10RORC
Hydrochloric Acid SCHEMBL10891730 0.84 MEN1 (0.49) MEN1KMT2APOLBHSD17B10RORC
SCHEMBL10896678 0.83 POLB (0.47) MEN1KMT2APOLBHSD17B10RORC
SCHEMBL28182819 0.81 MEN1 (0.56) MEN1KMT2APOLBHSD17B10RORC
SCHEMBL10892928 0.77 POLB (0.52) MEN1KMT2APOLBRORCPDK1
SCHEMBL9404930 0.74 VCAM1 (0.54) MEN1KMT2APOLBHSD17B10RAB9A
SCHEMBL4361693 0.73 HSD17B10 (0.60) MEN1KMT2APOLBHSD17B10RAB9A
SCHEMBL113357 0.73 KMT2A (0.61) MEN1KMT2APOLBHSD17B10RAB9A
SCHEMBL8245369 0.73 KAT2B (0.56) MEN1KMT2APOLBHSD17B10RORC
SCHEMBL9404937 0.71 MEN1 (0.56) MEN1KMT2APOLBHSD17B10RORC

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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