SCHEMBL28639253

SCHEMBL28639253

O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CO

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.62
CA9 Q16790 4/20 0.57
CA12 O43570 3/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
ACHE P22303 1/20 0.54
POLB P06746 1/20 0.54
CA4 P22748 1/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PTPRC P08575 1/20 0.53
S100A4 P26447 1/20 0.53
RPS6KA2 Q15349 1/20 0.51
KMT2A Q03164 1/20 0.51
PKM P14618 1/20 0.51
CA7 P43166 1/20 0.50

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
SCHEMBL3586091 0.87 POLB (0.62) ALOX5CA9CA12CA1CA2
SCHEMBL13486977 0.83 ALOX5 (0.62) ALOX5CA9CA12CA1CA2
SCHEMBL6207633 0.83 ALOX5 (0.62) ALOX5CA9CA12CA1CA2
SCHEMBL6956819 0.83 ALOX5 (0.62) ALOX5CA9CA12CA1CA2
SCHEMBL2210510 0.83 ALOX5 (0.62) ALOX5CA9CA12CA1CA2
SCHEMBL30070354 0.83 ALOX5 (0.62) ALOX5CA9CA12CA1CA2
SCHEMBL8083585 0.83 POLB (0.69) ALOX5CA9CA12CA1CA2
SCHEMBL4234480 0.83 LPAR3 (0.69) ALOX5CA9CA12CA1CA2
SCHEMBL13486978 0.82 POLB (0.67) ALOX5CA9CA12CA1CA2
SCHEMBL8686545 0.81 ALOX5 (0.57) ALOX5CA9CA12CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113501777-B Synthetic method of indoline-5-ylmethylamine dihydrochloride 上海毕得医药科技股份有限公司 2022-06-24 CN claimed
CN-113501777-A Synthetic method of indoline-5-ylmethylamine dihydrochloride 上海毕得医药科技股份有限公司 2021-10-15 CN claimed
CN-113501777-B Synthetic method of indoline-5-ylmethylamine dihydrochloride 上海毕得医药科技股份有限公司 2022-06-24 CN disclosed
CN-113501777-A Synthetic method of indoline-5-ylmethylamine dihydrochloride 上海毕得医药科技股份有限公司 2021-10-15 CN disclosed