SCHEMBL28182819

SCHEMBL28182819

CCNc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ HSD17B10 Q99714 1/20 0.55
▸ POLB P06746 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ PDK1 Q15118 1/20 0.51
▸ PDK2 Q15119 1/20 0.51
▸ PDK3 Q15120 1/20 0.51
▸ PDK4 Q16654 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.48
▸ RORC P51449 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ VCAM1 P19320 1/20 0.46

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
SCHEMBL9404930 0.83 VCAM1 (0.54) MEN1KMT2AHSD17B10POLBMAPT
SCHEMBL5982382 0.81 KAT2B (0.64) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL18395639 0.81 MAPT (0.56) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL10891727 0.81 MEN1 (0.48) MEN1KMT2AHSD17B10POLBMAPT
SCHEMBL4361693 0.81 HSD17B10 (0.60) MEN1KMT2AHSD17B10POLBMAPT
SCHEMBL113357 0.81 KMT2A (0.61) MEN1KMT2AHSD17B10POLBMAPT
SCHEMBL8245369 0.81 KAT2B (0.56) MEN1KMT2AHSD17B10POLBMAPT
SCHEMBL1844429 0.80 MAPT (0.54) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL11819005 0.80 MAPT (0.54) MEN1KMT2AMAPTALDH1A1
SCHEMBL10895251 0.80 MEN1 (0.50) MEN1KMT2AHSD17B10POLBMAPT

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
CN-107548301-A Contain composition of the menthol as soothing agent 西姆莱斯股份公司 2018-01-05 — — CN disclosed
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