SCHEMBL28082011

SCHEMBL28082011

O=C(Nc1ccc(OCc2ccccc2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
ACP1 P24666 1/20 0.47
PTPN12 Q05209 1/20 0.47
PTPN13 Q12923 1/20 0.47
SSU72 Q9NP77 1/20 0.47
CYP19A1 P11511 1/20 0.47
PPIA P62937 3/20 0.46
NHERF1 O14745 2/20 0.46
PYGL P06737 3/20 0.46
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL28081958 0.91 EGFR (0.51) TDP1MEN1KMT2AALDH1A1NHERF1
SCHEMBL28082017 0.90 TP53 (0.50) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL28081953 0.90 TDP1 (0.48) TDP1NHERF1PYGL
SCHEMBL28257814 0.89 TDP1 (0.51) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL28081968 0.89 MAPT (0.49) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL28832324 0.89 TDP1 (0.49) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL28257737 0.84 TDP1 (0.47) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL28081982 0.81 PYGL (0.56) MEN1KMT2AMAPTLMNANHERF1
SCHEMBL6019366 0.79 POLB (0.64) MEN1KMT2AMAPTLMNACYP19A1
SCHEMBL931628 0.77 NHERF1 (0.52) MEN1KMT2ALMNACYP19A1NHERF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105820104-B A kind of indoles -2- amides compound with anti-inflammatory effect and its application in preparing anti-inflammatory drugs 温州医科大学 2018-12-11 CN disclosed
CN-105820104-A Indole-2-acetamide compound with anti-inflammatory effect, and application thereof in preparation of anti-inflammatory drugs 温州医科大学 2016-08-03 CN disclosed