SCHEMBL31591952

SCHEMBL31591952

ClCCCCn1nc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.44
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CXCR4 P61073 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.35
TLR8 Q9NR97 2/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MPO P05164 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL19138003 0.98 SLC9A1 (0.43) SLC9A1MAPTL3MBTL1CXCR4SMN1; SMN2
SCHEMBL9039241 0.94 SLC9A1 (0.50) SLC9A1MAPTL3MBTL1CXCR4SMN1; SMN2
SCHEMBL8088119 0.79 MAPT (0.44) MAPTL3MBTL1CXCR4TLR8
SCHEMBL7476278 0.79 CXCR4 (0.39) MAPTL3MBTL1CXCR4SMN1; SMN2LMNA
SCHEMBL8656640 0.79 CXCR4 (0.39) SLC9A1MAPTL3MBTL1CXCR4SMN1; SMN2
SCHEMBL169024 0.79 TLR8 (0.53) SLC9A1MAPTSMN1; SMN2TP53TDP1
SCHEMBL9684955 0.78 MPO (0.50) MAPTCXCR4SMN1; SMN2TDP1MEN1
SCHEMBL17528648 0.78 TLR8 (0.54) SLC9A1MAPTSMN1; SMN2TP53TDP1
SCHEMBL366356 0.78 MAPT (0.46) MAPTCXCR4TDP1TLR8
SCHEMBL11325500 0.78 TLR8 (0.54) SLC9A1MAPTSMN1; SMN2TP53TDP1

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-120040360-A Liquid benzotric Azole photoluminescent material 苏州睿尔思科技有限公司 2025-05-27 CN disclosed