SCHEMBL31052291

SCHEMBL31052291

Cc1ccc(-n2cc(I)c3c(Cl)nc(Cl)nc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR9 Q9NR96 1/20 0.35
CRHR1 P34998 1/20 0.33
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL25221152 1.00 LMNA (0.37) LMNAALDH1A1MAPTHTTHPGD
SCHEMBL14805476 0.73 CDK1 (0.35)
SCHEMBL1578052 0.70 XDH (0.51) PTGS2PTGS1
SCHEMBL21996606 0.69 CCNA2 (0.33)
SCHEMBL22346220 0.68 MAPT (0.38) LMNAALDH1A1MAPTHTTNPC1
SCHEMBL30975023 0.67 CA12 (0.53) LMNACA12CA1CA2CA9
SCHEMBL22346852 0.65 RAPGEF4 (0.43) ALDH1A1MAPTHTTHPGDMAPK1
SCHEMBL22084740 0.65 SRC (0.49) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL25217566 0.64 P2RX7 (0.44) ALDH1A1MAPTHTTNPSR1KDM4E
SCHEMBL2784840 0.64 SRC (0.48) LMNAALDH1A1MAPTHTTNPC1

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-118525020-A Compound with CLK and DYRK inhibiting activity, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2024-08-20 CN disclosed