SCHEMBL29437320

SCHEMBL29437320

CCN1C(=O)c2cccc3c(S(=O)(=O)NC)ccc1c23

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.80
ALDH1A1 P00352 4/20 0.74
PKM P14618 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
MEN1 O00255 1/20 0.74
MAPT P10636 1/20 0.74
KMT2A Q03164 1/20 0.74
KDM4E B2RXH2 2/20 0.70
HPGD P15428 1/20 0.70
LMNA P02545 1/20 0.67
CASP1 P29466 1/20 0.67
CASP7 P55210 1/20 0.67

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
SCHEMBL17992491 1.00 BRD4 (0.80) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL17992497 0.89 BRD4 (1.00) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL19764638 0.86 BRD4 (1.00) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL29437293 0.86 BRD4 (1.00) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL29437328 0.85 BRD4 (1.00) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL19764643 0.85 BRD4 (1.00) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL9450615 0.85 BRD4 (0.73) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL17992500 0.84 BRD4 (1.00) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL17992507 0.84 BRD4 (1.00) BRD4ALDH1A1PKMSMN1; SMN2MEN1
SCHEMBL29437266 0.84 BRD4 (1.00) BRD4ALDH1A1PKMSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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