SCHEMBL29344718

SCHEMBL29344718

COc1ccc(CN(C)c2cc(Cl)nc3c(C(C)CO)cnn23)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.37
ALDH1A1 P00352 6/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 4/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A2 P23975 2/20 0.35
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
PDE9A O76083 2/20 0.34
ABCB11 O95342 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL29344675 0.87 ALDH1A1 (0.34) ALDH1A1HTTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL29344733 0.83 ALDH1A1 (0.36) ALDH1A1HTTSMN1; SMN2LMNAKDM4E
SCHEMBL29344742 0.82 HSP90AA1 (0.33) KDM4EMEN1KMT2ATSHR
SCHEMBL29344724 0.76 ALDH1A1 (0.31) ALDH1A1HTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL29344706 0.69 CDK2 (0.37) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23327500 0.68 ALDH1A1 (0.43) DHFRALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL26098304 0.68 PTPN1 (0.49) ALDH1A1HTTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL23351205 0.67 ALDH1A1 (0.35) ALDH1A1HTTSMN1; SMN2LMNAL3MBTL1
SCHEMBL23327454 0.65 MAPT (0.42) ALDH1A1LMNAPOLB
SCHEMBL23327537 0.65 NR3C2 (0.38) ALDH1A1HTTSMN1; SMN2L3MBTL1KDM4E

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-2024151992-A1 PREPARATION OF A TYK2 INHIBITOR VENTYX BIOSCIENCES, INC. (US) 2024-07-18 WO disclosed