SCHEMBL23865472

SCHEMBL23865472

C/C(=C/NC=O)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.37
TYK2 P29597 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL16257947 0.79 HPGD (0.41) ERCC5FEN1SMN1; SMN2HPGDPOLB
SCHEMBL14065183 0.76 PDE10A (0.39) SMN1; SMN2KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL11279520 0.75 DEGS1 (0.41) SMN1; SMN2HPGDKDM4ECYP3A4POLB
SCHEMBL20942903 0.75 SMN1; SMN2 (0.41) ERCC5FEN1SMN1; SMN2HPGDALDH1A1
SCHEMBL11279517 0.75 DEGS1 (0.41) SMN1; SMN2HPGDKDM4ECYP3A4POLB
SCHEMBL20942904 0.75 SMN1; SMN2 (0.41) ERCC5FEN1SMN1; SMN2HPGDALDH1A1
SCHEMBL18621223 0.73 TSHR (0.43) ERCC5FEN1SMN1; SMN2HPGDTSHR
SCHEMBL9493573 0.73 TSHR (0.43) ERCC5FEN1SMN1; SMN2HPGDTSHR
SCHEMBL9493577 0.73 TSHR (0.43) ERCC5FEN1SMN1; SMN2HPGDTSHR
SCHEMBL16257948 0.71 TSHR (0.41) ERCC5FEN1SMN1; SMN2HPGDTSHR

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
EP-3885344-A2 PYRIMIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2021-09-29 EP disclosed