SCHEMBL29684653

SCHEMBL29684653

COCCOc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)NCCO)s1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
IRAK4 Q9NWZ3 8/20 0.48
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL29684509 0.94 TP53 (0.47) POLBIRAK4KMT2AKDM4EHTT
SCHEMBL29684278 0.93 IRAK4 (0.46) POLBIRAK4KMT2AKDM4EHTT
SCHEMBL29684153 0.92 IRAK4 (0.45) POLBIRAK4KMT2AKDM4EHTT
SCHEMBL29684433 0.87 IRAK4 (0.44) IRAK4HPGDKMT2AKDM4EHTT
SCHEMBL29683974 0.87 IRAK4 (0.51) POLBIRAK4HPGDHSD17B10KMT2A
SCHEMBL29684155 0.85 IRAK4 (0.43) IRAK4HPGDKMT2AKDM4EHTT
SCHEMBL29684141 0.84 KMT2A (0.47) IRAK4HPGDKMT2AKDM4EHTT
SCHEMBL28844977 0.84 KMT2A (0.53) POLBIRAK4HPGDKMT2AKDM4E
SCHEMBL29684244 0.84 IRAK4 (0.50) POLBIRAK4HPGDHSD17B10KMT2A
SCHEMBL29684320 0.82 IRAK4 (0.47) POLBIRAK4HPGDKMT2AKDM4E

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-114763346-A Compound for inducing chondrogenesis and application thereof 华东师范大学 2022-07-19 CN claimed
CN-114763346-A Compound for inducing chondrogenesis and application thereof 华东师范大学 2022-07-19 CN disclosed