SCHEMBL25746301

SCHEMBL25746301

COCc1nc(S)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ NCF1 P14598 2/20 0.40
▸ PRNP P04156 2/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ GPR3 P46089 1/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL31391515 1.00 POLB (0.43) POLBNCF1PRNPRXFP1MAPK1
SCHEMBL25746272 0.80 ALDH1A1 (0.47) POLBPRNPRXFP1L3MBTL1MEN1
SCHEMBL31391444 0.80 ALDH1A1 (0.47) POLBPRNPRXFP1L3MBTL1MEN1
SCHEMBL26314584 0.78 ADORA2A (0.50) MAPK1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL10548915 0.77 ALDH1A1 (0.55) POLBPRNPRXFP1MAPK1L3MBTL1
SCHEMBL6916233 0.72 TDP1 (0.38) L3MBTL1MEN1KMT2AKDM4EHPGD
SCHEMBL9433474 0.72 KDM4E (0.57) POLBNCF1L3MBTL1KMT2AKDM4E
SCHEMBL9357207 0.70 LMNA (0.52) POLBNCF1PRNPRXFP1L3MBTL1
SCHEMBL31391505 0.70 LMNA (0.52) POLBNCF1PRNPRXFP1L3MBTL1
SCHEMBL30824487 0.68 TSHR (0.41) L3MBTL1KDM4EGPR3CYP1A2SMN1; SMN2

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-2023118507-A2 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2023-06-29 — — WO disclosed
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