SCHEMBL31180025

SCHEMBL31180025

Cc1cc(O)c(-n2c(N)nc3ccccc32)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
NOS2 P35228 1/20 0.44
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ASAH1 Q13510 1/20 0.40
CXCR4 P61073 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
TLR8 Q9NR97 2/20 0.39

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
SCHEMBL30566785 0.80 NOS2 (0.50) TSHRNOS2HTTCYP1A2CYP2D6
SCHEMBL28972568 0.80 NOS2 (0.50) TSHRNOS2HTTCYP1A2CYP2D6
SCHEMBL19721186 0.78 TSHR (0.50) TSHRNOS2HTTCYP1A2CYP2D6
SCHEMBL7294298 0.77 MEN1 (0.45) NOS2HTTCYP1A2CYP2D6NPC1
SCHEMBL9994921 0.75 TSHR (0.48) TSHRNOS2HTTCYP1A2CYP2D6
SCHEMBL5402930 0.74 LCK (0.48) TSHRNOS2HTTCYP1A2CYP2D6
SCHEMBL7847391 0.73 TSHR (0.45) TSHRNOS2HTTCYP1A2CYP2D6
SCHEMBL15214855 0.70 L3MBTL1 (0.56) NOS2HTTCYP1A2CYP2D6NPC1
SCHEMBL2494868 0.70 ESR2 (0.62) NOS2HTTCYP1A2CYP2D6NPC1
SCHEMBL23652406 0.70 KDM4E (0.55) NOS2HTTCYP1A2CYP2D6NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118772128-B Dianhydride compound containing triazine group, and preparation method and application thereof 波米科技有限公司 2025-03-21 CN disclosed
CN-118772128-A Dianhydride compound containing triazine group, and preparation method and application thereof 波米科技有限公司 2024-10-15 CN disclosed