SCHEMBL9789641

SCHEMBL9789641

CCc1nccn1CSc1coc2ccccc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.41
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP17A1 P05093 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ MAOA P21397 3/20 0.36
▸ ALPG P10696 2/20 0.36
▸ PLAA Q9Y263 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NISCH Q9Y2I1 1/20 0.34

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
SCHEMBL9789638 0.74 ALDH1A1 (0.43) MAOBALDH1A1MAOAALPGPLAA
SCHEMBL9618120 0.72 MAOB (0.60) MAOBCYP11B1CYP11B2ALDH1A1CYP17A1
SCHEMBL9789640 0.71 CYP11B1 (0.39) MAOBCYP11B1CYP11B2ALDH1A1CYP17A1
SCHEMBL11639718 0.68 MAOB (0.51) MAOBALDH1A1MAOASMN1; SMN2PTPN1
SCHEMBL12655257 0.66 MAOB (0.73) MAOBCYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL8786734 0.65 MAOB (0.51) MAOBCYP11B1CYP11B2ALDH1A1CYP17A1
SCHEMBL11394273 0.65 MAOB (0.51) MAOBCYP11B1CYP11B2ALDH1A1CYP17A1
SCHEMBL11405457 0.64 PTGS2 (0.50) MAOBCYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL8787868 0.64 KDM4E (0.51) MAOBCYP11B1CYP11B2ALDH1A1CYP17A1
SCHEMBL11390180 0.63 MAOB (0.46) MAOBALDH1A1MAOASMN1; SMN2

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
JP-3291280-A — — None — — JP disclosed
JP-H03291280-A THIOCHROMONE DERIVATIVE TAISHO PHARMACEUT CO LTD 1991-12-20 — — JP disclosed
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