SCHEMBL27272706

SCHEMBL27272706

CN1c2ccccc2SC(c2ccccc2O)C1C=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MYLK Q15746 2/20 0.36
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ PDF Q9HBH1 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
SCHEMBL27272703 0.82 MYLK (0.37) MYLKNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL27270221 0.82 RAB9A (0.39) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL17399090 0.75 MYLK (0.38) MYLKHDAC4HDAC7HDAC5NPC1
SCHEMBL27267555 0.74 TP53 (0.31) ALDH1A1TP53ALOX15HSD17B10
SCHEMBL27516784 0.71 MAOA (0.41) NPC1ALDH1A1TP53ALOX15RAB9A
SCHEMBL19675523 0.65 NOX1 (0.44) HDAC4HDAC7HDAC5GSK3BPDF
SCHEMBL10994406 0.65 MYLK (0.43) MYLKNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL32662573 0.64 MAOA (0.43) ALDH1A1SMN1; SMN2GSK3BSLC6A2SLC6A4
SCHEMBL2500446 0.64 KDM4E (0.50) HDAC4HDAC7HDAC5ALDH1A1SLC6A2
SCHEMBL28122052 0.63 NOX1 (0.42) ALDH1A1RAB9ASMN1; SMN2GSK3B

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-1020607-C PROCESS FOR PREPARATION OF BENZOTHIAZINE DERIVS. HOECHST AG (DE) 1993-05-12 — — CN disclosed
CN-85101312-A Process for preparing Benzothiazine derivatives — 1987-04-08 — — CN disclosed
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