SCHEMBL29544600

SCHEMBL29544600

COc1cc([N+](=O)[O-])ccc1NC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.62
▸ PKM P14618 1/20 0.62
▸ LMNA P02545 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ ALDH1A1 P00352 5/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ GLA P06280 1/20 0.54
▸ EPHX1 P07099 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ KCNMA1 Q12791 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL9509694 0.82 HTT (0.68) HTTPKMLMNAKMT2AALDH1A1
SCHEMBL8536244 0.81 HTT (0.66) HTTPKMLMNAKMT2AALDH1A1
SCHEMBL16603070 0.80 PKM (0.72) HTTPKMLMNAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL20984252 0.79 HTT (0.64) HTTPKMLMNAKMT2AALDH1A1
Bromide SCHEMBL20984908 0.79 HTT (0.64) HTTPKMLMNAKMT2AALDH1A1
SCHEMBL15257085 0.79 MAPT (0.53) HTTKMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL21280225 0.78 HTT (0.62) HTTPKMLMNAKMT2AALDH1A1
SCHEMBL962472 0.78 HTT (0.62) HTTPKMLMNAKMT2AALDH1A1
SCHEMBL13815362 0.78 LMNA (0.78) HTTPKMLMNAKMT2AALDH1A1
SCHEMBL19669453 0.78 MAPT (0.51) HTTPKMLMNAKMT2AALDH1A1

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
WO-2022072634-A1 BICYCLIC COMPOUNDS FOR USE IN THE TREATMENT CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-07 — — WO disclosed
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