SCHEMBL29587479

SCHEMBL29587479

COC(=O)c1ccc(Br)nc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 6/20 0.41
GAA P10253 5/20 0.41
ALDH1A1 P00352 4/20 0.41
GLA P06280 3/20 0.41
ATM Q13315 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL22658874 1.00 L3MBTL1 (0.45) L3MBTL1CA12CA1CA2CA7
SCHEMBL23971222 0.85 L3MBTL1 (0.50) L3MBTL1CA12CA1CA2CA7
SCHEMBL2473278 0.83 NPC1 (0.43) L3MBTL1CA12CA1CA2CA7
SCHEMBL14686821 0.83 NPC1 (0.54) L3MBTL1CA12CA1CA2CA7
SCHEMBL31020365 0.81 NPC1 (0.45) L3MBTL1CA12CA1CA2CA7
SCHEMBL22717309 0.81 SMN1; SMN2 (0.45) L3MBTL1CA12CA1CA2CA7
SCHEMBL18555299 0.81 KDM4E (0.46) L3MBTL1CA12CA1CA2CA7
SCHEMBL426998 0.81 TDP1 (0.50) L3MBTL1CA12CA1CA2CA7
SCHEMBL23970964 0.81 TUBB4A (0.51) L3MBTL1CA12CA1CA2CA7
SCHEMBL22557407 0.80 L3MBTL1 (0.42) L3MBTL1CA12CA1CA2CA7

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-114391015-A Benzo [ b ] [1,8] naphthyridineacetic acid derivatives and methods of use 斯汀塞拉股份有限公司 2022-04-22 CN disclosed