SCHEMBL31364074

SCHEMBL31364074

Brc1cnc(C2CCCCC2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLAU P00749 1/20 0.39
TLR7 Q9NYK1 1/20 0.37
LCK P06239 1/20 0.36
CYP11B2 P19099 1/20 0.36
SSTR3 P32745 1/20 0.35
POLB P06746 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
ATM Q13315 1/20 0.34
PDE5A O76074 1/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
CHRNA7 P36544 2/20 0.33
JAK3 P52333 1/20 0.33
AURKA O14965 1/20 0.33
PRKCA P17252 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
SCHEMBL28459553 0.80 PLAU (0.42) TDP1L3MBTL1PLAUCYP11B2POLB
SCHEMBL31364014 0.79 TDP1 (0.43) TDP1L3MBTL1PLAUTLR7LCK
SCHEMBL31364011 0.78 TDP1 (0.53) TDP1L3MBTL1TLR7LCKSSTR3
SCHEMBL29249933 0.76 ELANE (0.41) TDP1L3MBTL1TLR7
SCHEMBL10356217 0.70 ALDH1A1 (0.51) TDP1L3MBTL1PLAUATMPDE5A
SCHEMBL20623031 0.70 ALDH1A1 (0.51) TDP1L3MBTL1PLAUATMPDE5A
SCHEMBL29249915 0.70 ALDH1A1 (0.51) TDP1L3MBTL1PLAUATMPDE5A
SCHEMBL22808949 0.70 L3MBTL1 (0.55) TDP1L3MBTL1TLR7ATMPDE5A
SCHEMBL29249946 0.70 ALDH1A1 (0.51) TDP1L3MBTL1PLAUATMPDE5A
SCHEMBL29249988 0.70 ALDH1A1 (0.51) TDP1L3MBTL1PLAUATMPDE5A

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-119638622-A Photocatalytic alkane C (sp)3) Method for activating H bond and constructing C-C bond with aza arene 中国科学院理化技术研究所 2025-03-18 CN disclosed