SCHEMBL28889248

SCHEMBL28889248

O=C(NC(=S)NC1CCC1)C(c1cc(C(F)(F)F)ccn1)c1cccnc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GALR3 O60755 1/20 0.37
PHGDH O43175 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 4/20 0.36
EPHX2 P34913 1/20 0.36
CETP P11597 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
CRHR1 P34998 3/20 0.35
HCRTR1 O43613 1/20 0.35
ACKR3 P25106 1/20 0.34

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
SCHEMBL29893626 1.00 LMNA (0.41) LMNAKMT2ANPSR1GALR3PHGDH
SCHEMBL29893652 0.96 PDE4B (0.38) LMNAKMT2ANPSR1PHGDHHTT
SCHEMBL28889234 0.96 PDE4B (0.38) LMNAKMT2ANPSR1PHGDHHTT
SCHEMBL28889338 0.90 LMNA (0.41) LMNAKMT2ANPSR1GALR3PHGDH
SCHEMBL28889177 0.86 HDAC4 (0.40) LMNAKMT2ANPSR1PHGDHMEN1
SCHEMBL28889330 0.83 ALDH1A1 (0.44) LMNAKMT2ANPSR1PHGDHMEN1
SCHEMBL29941747 0.81 EPHX2 (0.41) LMNAKMT2ASMN1; SMN2MEN1EPHX2
SCHEMBL28889343 0.80 HCRTR1 (0.42) LMNAKMT2ANPSR1PHGDHALDH1A1
SCHEMBL28889290 0.79 LMNA (0.40) LMNAKMT2ANPSR1GALR3PHGDH
SCHEMBL28889357 0.79 ALDH1A1 (0.39) LMNAKMT2ANPSR1GALR3PHGDH

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
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