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Sugi Predict / Compounds / SCHEMBL28167902

SCHEMBL28167902

SCHEMBL28167902

COn1cc(CC(=O)Nc2ccccc2C(=O)O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ PTGER4 P35408 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ S1PR2 O95136 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ TSHR P16473 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ HCAR2 Q8TDS4 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL28369737 0.85 PTPN5 (0.51) KDM4ELMNAMAPK8MAPK9MAPK10
SCHEMBL28375698 0.85 PTPN5 (0.56) KDM4EKMT2AMEN1LMNASMN1; SMN2
SCHEMBL28375685 0.84 S1PR2 (0.57) KMT2AMEN1LMNASMN1; SMN2S1PR2
SCHEMBL28369732 0.84 S1PR2 (0.49) KDM4EKMT2AMEN1LMNAMAPK8
SCHEMBL28374362 0.84 TSHR (0.54) KDM4EKMT2AHPGDMEN1S1PR2
SCHEMBL28369520 0.84 S1PR2 (0.49) KDM4EKMT2AMEN1LMNAMAPK8
SCHEMBL28373077 0.84 S1PR2 (0.57) KDM4EKMT2AMEN1LMNASMN1; SMN2
SCHEMBL28885228 0.81 MAPK10 (0.60) KDM4EKMT2AMAPK8MAPK9MAPK10
SCHEMBL28885207 0.80 MAPT (0.52) KDM4EKMT2AMEN1LMNASMN1; SMN2
SCHEMBL9680639 0.79 CDC25A (0.53) KDM4EHPGDLMNAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107149602-B Application of indole compounds and derivatives thereof in preparation of anti-HIV drugs 中国医学科学院药物研究所 2020-10-09 — — CN disclosed
CN-107149603-B Application of indole compounds and derivatives thereof in preparation of anti-influenza virus drugs 中国医学科学院药物研究所 2020-07-14 — — CN disclosed
CN-107174581-B Application of N-alkyl indole compounds in preparation of anti-HIV (human immunodeficiency Virus) medicines 中国医学科学院药物研究所 2020-05-01 — — CN disclosed
CN-107176921-B Indole compounds with antiviral activity in isatis root and derivatives thereof 中国医学科学院药物研究所 2020-03-31 — — CN disclosed
CN-107151223-B Application of N-alkyl indole compounds in preparation of anti-influenza virus drugs 中国医学科学院药物研究所 2020-03-31 — — CN disclosed
CN-107151231-B Indole compounds with antiviral activity 中国医学科学院药物研究所 2020-03-27 — — CN disclosed
CN-107176921-A There are the class Benzazole compounds and its derivative of antiviral activity in Radix Isatidis 中国医学科学院药物研究所 2017-09-19 — — CN disclosed
CN-107174581-A Purposes of the one class N- alkyl-indol class compounds in inverase is prepared 中国医学科学院药物研究所 2017-09-19 — — CN disclosed
CN-107149603-A The purposes of a class Benzazole compounds and its derivative in anti-influenza virus medicament is prepared in Radix Isatidis 中国医学科学院药物研究所 2017-09-12 — — CN disclosed
CN-107149602-A The purposes of a class Benzazole compounds and its derivative in inverase is prepared in Radix Isatidis 中国医学科学院药物研究所 2017-09-12 — — CN disclosed
CN-107151223-A Purposes of the one class N- alkyl-indol class compounds in anti-influenza virus medicament is prepared 中国医学科学院药物研究所 2017-09-12 — — CN disclosed