SCHEMBL11168353

SCHEMBL11168353

COC(=O)c1cc(C(C)(C)[N+](=O)[O-])cc2c1Cc1ccccc1[S+]2[O-]

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL10830507 0.89 TSHR (0.36) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL10806989 0.87 TRPA1 (0.36) TRPA1MEN1KMT2AALDH1A1KDM4E
SCHEMBL11165237 0.84 LMNA (0.40) TRPA1MEN1KMT2ASIRT6ALDH1A1
SCHEMBL11167136 0.80 KDM4E (0.39) TRPA1MEN1KMT2AALDH1A1KDM4E
SCHEMBL11166118 0.80 ALDH1A1 (0.39) TRPA1MEN1KMT2AALDH1A1KDM4E
SCHEMBL52315 0.78 TRPA1 (0.51) TRPA1MEN1KMT2AALDH1A1KDM4E
SCHEMBL10806484 0.76 TSHR (0.38) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL10801889 0.75 NPC1 (0.30) ALDH1A1GLAMAPK1
SCHEMBL11178009 0.73 MAPK1 (0.38) TRPA1ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL10831575 0.72 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1TSHRMAPT

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-4385182-A SENSITIZERS OR PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1983-05-24 — — US disclosed
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