SCHEMBL25394963

SCHEMBL25394963

C=Cc1ncc(NC(=O)O)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.37
▸ KCNQ3 O43525 8/20 0.35
▸ KCNQ2 O43526 8/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TGM2 P21980 1/20 0.34
▸ KCNE1 P15382 5/20 0.34
▸ KCNQ1 P51787 5/20 0.34
▸ KCNQ5 Q9NR82 3/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ EGFR P00533 4/20 0.34
▸ ITK Q08881 3/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ KDR P35968 2/20 0.32
▸ TEK Q02763 1/20 0.32
▸ P4HTM Q9NXG6 1/20 0.32
▸ DYRK3 O43781 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ MAP4K4 O95819 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
SCHEMBL25396560 0.81 RORC (0.36) BTKKCNQ3KCNQ2NPC1RAB9A
SCHEMBL31221963 0.79 SYK (0.44) TGM2EGFRITKMAP4K4SYK
SCHEMBL16164683 0.76 KCNQ3 (0.41) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL17512555 0.75 KCNQ3 (0.42) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL19435882 0.72 BACE1 (0.41) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL15921542 0.71 MALT1 (0.43) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL16164495 0.71 PIK3CA (0.44) KCNQ3KCNQ2
SCHEMBL25397784 0.71 TRPV1 (0.34) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL16164745 0.70 MALT1 (0.45) —
SCHEMBL30821561 0.70 PDXK (0.36) BTK

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
WO-2023176957-A1 AZOLE COMPOUND AND ANTIFUNGAL AGENT 日本農薬株式会社 2023-09-21 — — WO disclosed
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