SCHEMBL28889346

SCHEMBL28889346

CNC(=O)C(=S)NC(=O)C(c1cc(C)ccn1)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MDM2 Q00987 1/20 0.36
OPRM1 P35372 3/20 0.35
OPRL1 P41146 3/20 0.35
CRHR1 P34998 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
PHGDH O43175 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 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
SCHEMBL28889168 0.89 CTSA (0.43) CTSASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL28889189 0.87 CTSA (0.45) CTSASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL28889188 0.86 ADRB2 (0.39) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL28889227 0.77 CTSA (0.47) CTSASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL28889388 0.76 ALDH1A1 (0.36) CTSASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL29941823 0.75 ADRB2 (0.40) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL28889262 0.75 KMT2A (0.38) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL29894334 0.75 KMT2A (0.38) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL28889244 0.74 IDO1 (0.35) CTSAMEN1KMT2AMAPTOPRM1
SCHEMBL29941884 0.73 SMARCA2 (0.38) CTSAPOLBL3MBTL1LMNA

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