SCHEMBL31008697

SCHEMBL31008697

O=c1n(CCO)c2cc(Br)cnc2n1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
TRPC5 Q9UL62 1/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM4A O75164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRIN1 Q05586 10/20 0.33
GRIN2B Q13224 10/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4B Q07343 2/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL25420050 1.00 HSD17B10 (0.41) HSD17B10TRPC5TSHRKDM4EKDM4A
SCHEMBL21836748 0.86 APEX1 (0.43) HSD17B10TSHRKDM4EKDM4AALDH1A1
SCHEMBL28736559 0.84 GRIN1 (0.50) HSD17B10GRIN1GRIN2B
SCHEMBL20129937 0.84 HSD17B10 (0.38) HSD17B10TSHRKDM4EKDM4AALDH1A1
SCHEMBL31008729 0.84 HSD17B10 (0.38) HSD17B10TSHRKDM4EKDM4AALDH1A1
SCHEMBL25224076 0.82 GRIN1 (0.50) HSD17B10GRIN1GRIN2B
SCHEMBL31008675 0.82 GRIN1 (0.50) HSD17B10GRIN1GRIN2B
SCHEMBL25421015 0.82 HSD17B10 (0.60) HSD17B10TSHRKDM4EALDH1A1HPGD
SCHEMBL30381462 0.82 HSD17B10 (0.60) HSD17B10TSHRKDM4EALDH1A1HPGD
SCHEMBL29636067 0.81 GRIN1 (0.51) GRIN1GRIN2B

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-114989164-B Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof 詹森药业有限公司 2024-08-13 CN disclosed