SCHEMBL31256818

SCHEMBL31256818

CCOc1cc(CBr)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.46
LOX P28300 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
ACACB O00763 5/20 0.36
IGF1R P08069 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL2940184 1.00 LOXL2 (0.46) LOXL2LOXSMN1; SMN2HPGDNOS3
SCHEMBL13226976 0.84 NOS3 (0.53) LOXL2LOXSMN1; SMN2HPGDNOS3
SCHEMBL29975842 0.82 LOXL2 (0.67) LOXL2LOXNOS3NOS1NOS2
SCHEMBL17342 0.82 LOXL2 (0.67) LOXL2LOXNOS3NOS1NOS2
Bromide SCHEMBL13858041 0.81 LOXL2 (0.65) LOXL2LOXNOS3NOS1NOS2
SCHEMBL2940362 0.81 RECQL (0.50) LOXL2LOXNOS3NOS1NOS2
SCHEMBL134512 0.81 LOXL2 (0.46) LOXL2LOXSMN1; SMN2HPGDNOS3
SCHEMBL4933505 0.81 LOXL2 (0.70) LOXL2LOXNOS3NOS1NOS2
SCHEMBL15504978 0.80 LOXL2 (0.46) LOXL2LOXACACBCYP4F2CYP4A11
SCHEMBL28718096 0.79 LOXL2 (0.49) LOXL2LOXSMN1; SMN2HPGDNOS3

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-119110800-A Modulators of interferon gene stimulating factor (STING), compositions and methods 健道生物医药有限公司 2024-12-10 CN disclosed