Pyrabactin A

Pyrabactin A

SCHEMBL30157573

O=S(=O)(NCc1ccccn1)c1ccc(Br)c2ccccc12

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.55
POLB P06746 1/20 0.54
USP2 O75604 1/20 0.53
HTT P42858 1/20 0.53
PRMT1 Q99873 1/20 0.52
IKBKB O14920 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
Pyrabactin A SCHEMBL9932519 1.00 L3MBTL1 (0.57) L3MBTL1ALDH1A1KDM4EHPGDCASP1
Pyrabactin A SCHEMBL29395044 1.00 L3MBTL1 (0.57) L3MBTL1ALDH1A1KDM4EHPGDCASP1
Pyrabactin A SCHEMBL2476266 0.89 ALDH1A1 (0.50) L3MBTL1ALDH1A1KDM4EHPGDCASP1
SCHEMBL27807434 0.82 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EHPGDCASP1
SCHEMBL169187 0.81 L3MBTL1 (0.60) L3MBTL1ALDH1A1KDM4EHPGDCASP1
SCHEMBL4443025 0.80 NSD2 (0.65) L3MBTL1ALDH1A1KDM4EHPGDCASP1
SCHEMBL4489640 0.80 L3MBTL1 (0.56) L3MBTL1ALDH1A1KDM4EHPGDCASP1
Hydrochloric Acid SCHEMBL4446948 0.79 NSD2 (0.66) L3MBTL1ALDH1A1KDM4EHPGDCASP1
SCHEMBL18397971 0.79 L3MBTL1 (0.55) L3MBTL1ALDH1A1MEN1KMT2AGAA
SCHEMBL13251657 0.79 NSD2 (0.62) KDM4EKMT2A

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
WO-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 WO disclosed