SCHEMBL25328672

SCHEMBL25328672

Oc1c(Cl)cc(Cl)c2cnc(Cl)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 4/20 0.49
HSP90AA1 P07900 4/20 0.49
CYP3A4 P08684 4/20 0.49
HTT P42858 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MMP14 P50281 3/20 0.49
KDM4E B2RXH2 3/20 0.49
OPRK1 P41145 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
LMNA P02545 3/20 0.49
ALOX15 P16050 3/20 0.49
ALOX12 P18054 3/20 0.49
SLC6A2 P23975 3/20 0.49
TP53 P04637 2/20 0.49
HTR1A P08908 2/20 0.49
ALOX15B O15296 1/20 0.49
NR1I2 O75469 1/20 0.49

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
SCHEMBL1632667 0.84 KDM4E (0.38) MAPTALDH1A1MEN1HSP90AA1CYP3A4
SCHEMBL25329134 0.84 MAPT (0.40) MAPTALDH1A1MEN1HSP90AA1CYP3A4
SCHEMBL1634205 0.73 KDM4E (0.50) MAPTALDH1A1MEN1HSP90AA1CYP3A4
SCHEMBL4451993 0.71 MAPT (0.55) MAPTALDH1A1MEN1HSP90AA1CYP3A4
SCHEMBL1784639 0.71 MAPT (0.68) MAPTALDH1A1MEN1HSP90AA1CYP3A4
SCHEMBL30515553 0.71 MAPT (0.34) MAPTALDH1A1MEN1HSP90AA1CYP3A4
SCHEMBL1633632 0.71 MAPT (0.34) MAPTALDH1A1MEN1HSP90AA1CYP3A4
SCHEMBL4448881 0.68 MAPT (0.51) MAPTALDH1A1MEN1HSP90AA1CYP3A4
Chlorquinaldol SCHEMBL29641617 0.68 MAPT (1.00) MAPTALDH1A1MEN1HSP90AA1CYP3A4
Chlorquinaldol SCHEMBL29607534 0.68 MAPT (1.00) MAPTALDH1A1MEN1HSP90AA1CYP3A4

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-2023143135-A1 QUINAZOLINE DERIVATIVE AND USE THEREOF 赛诺哈勃药业(成都)有限公司 2023-08-03 WO disclosed
CN-116514728-A Quinazoline derivative and application thereof 赛诺哈勃药业(成都)有限公司 2023-08-01 CN disclosed