SCHEMBL27600489

SCHEMBL27600489

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA7 P43166 4/20 0.45
CA9 Q16790 4/20 0.45
CA14 Q9ULX7 4/20 0.45
PDK2 Q15119 1/20 0.45
PDK4 Q16654 1/20 0.45
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
MYC P01106 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL27797779 0.88 SMN1; SMN2 (0.46) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28404963 0.87 GAA (0.46) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29559950 0.85 SMN1; SMN2 (0.47) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1354839 0.85 SMN1; SMN2 (0.47) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9460792 0.84 TSHR (0.53) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8578465 0.83 TSHR (0.50) GAASMN1; SMN2ALDH1A1TSHRMYC
SCHEMBL31620996 0.83 SMN1; SMN2 (0.53) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16387622 0.83 MEN1 (0.43) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL31430616 0.82 GAA (0.47) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL27862571 0.82 TSHR (0.50) GAASMN1; SMN2MEN1KMT2AALDH1A1

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-1478092-A Benzoxazinone derivatives, their preparation and use ʷ 2004-02-25 CN disclosed