SCHEMBL28458415

SCHEMBL28458415

CCCCN1C(=O)c2cccc3c(S(N)(=O)=O)ccc1c23

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.65
RORC P51449 1/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.51
APAF1 O14727 1/20 0.51
GAA P10253 1/20 0.51
THRB P10828 1/20 0.51
NPSR1 Q6W5P4 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
SCHEMBL29437342 0.87 BRD4 (0.71) BRD4RORCALDH1A1MAPTSMN1; SMN2
SCHEMBL17992510 0.79 BRD4 (1.00) BRD4RORCALDH1A1MAPTSMN1; SMN2
SCHEMBL29353577 0.79 MEN1 (0.60) BRD4ALDH1A1MAPTMEN1KMT2A
SCHEMBL9450622 0.78 BRD4 (0.53) BRD4ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL17982444 0.78 CYP1B1 (0.59) BRD4ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL24158402 0.78 CYP1B1 (0.59) BRD4ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL17982449 0.77 CDC25A (0.58) BRD4ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL17992517 0.76 BRD4 (0.87) BRD4RORCALDH1A1MAPTSMN1; SMN2
SCHEMBL29437335 0.76 BRD4 (0.87) BRD4RORCALDH1A1MAPTSMN1; SMN2
SCHEMBL20864359 0.76 BRD4 (0.54) BRD4ALDH1A1MAPTSMN1; SMN2MEN1

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-111662226-A 2-oxo-1, 2-dihydrobenzo [ cd ] indole compound 中国科学院广州生物医药与健康研究院 2020-09-15 CN claimed
CN-111662226-B 2-oxo-1, 2-dihydrobenzo [ cd ] indole compound 中国科学院广州生物医药与健康研究院 2022-03-18 CN disclosed
CN-105985282-B 2-oxo-1, 2-dihydrobenzo [ cd ] indole compound and application thereof 中国科学院广州生物医药与健康研究院 2020-12-08 CN disclosed
CN-111662226-A 2-oxo-1, 2-dihydrobenzo [ cd ] indole compound 中国科学院广州生物医药与健康研究院 2020-09-15 CN disclosed