SCHEMBL28889196

SCHEMBL28889196

CNC(=S)NC(=O)C(c1ccccc1)c1cc(C(F)(F)F)ccn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.43
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
HTT P42858 5/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 7/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALOX12 P18054 3/20 0.41
ADRB2 P07550 1/20 0.40
ATM Q13315 1/20 0.39
ALPL P05186 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL29942364 0.90 ADRB2 (0.40) KDM4ETDP1ALDH1A1MAPTADRB2
SCHEMBL29941818 0.89 HDAC4 (0.41) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL29941839 0.89 PHGDH (0.41) MEN1KMT2AHTTALDH1A1LMNA
SCHEMBL29941697 0.89 MEN1 (0.49) TACR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28889297 0.89 ADRB2 (0.37) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL29893817 0.89 ADRB2 (0.37) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL29942331 0.86 ADRB2 (0.38) KMT2AHTTKDM4EALDH1A1LMNA
SCHEMBL29941794 0.86 ADRB2 (0.38) MEN1KMT2AHTTKDM4ESMN1; SMN2
SCHEMBL29941803 0.86 HDAC4 (0.42) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL29941821 0.85 ADRB2 (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA

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
WO-2022222911-A1 PYRIMIDONE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-10-27 WO disclosed
CN-115215862-A Pyrimidone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-21 CN disclosed