SCHEMBL11516370

SCHEMBL11516370

CCOc1ccc2c(c1)sc(C)[n+]2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ POLB P06746 1/20 0.50
▸ APOBEC3A P31941 1/20 0.46
▸ PSMB8 P28062 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ LMNA P02545 5/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ PKM P14618 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ NQO1 P15559 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
SCHEMBL9031549 0.83 LMNA (0.53) MAPTALDH1A1KDM4ETDP1POLB
Iodide SCHEMBL6660089 0.82 MAPT (0.43) MAPTALDH1A1KDM4ETDP1POLB
SCHEMBL13652077 0.81 MAPT (0.73) MAPTALDH1A1KDM4ETDP1POLB
Hydrochloric Acid SCHEMBL11516850 0.74 INSR (0.50) MAPTALDH1A1KDM4ETDP1POLB
SCHEMBL19305186 0.74 APP (0.64) ALDH1A1POLBPSMB8KMT2AHSD17B10
Hydrochloric Acid SCHEMBL39077 0.73 APP (0.65) ALDH1A1POLBPSMB8KMT2AHSD17B10
SCHEMBL17835477 0.73 SNCA (0.50) MAPTALDH1A1POLBPSMB8KMT2A
SCHEMBL11516326 0.70 MAPT (0.45) MAPTALDH1A1KDM4ETDP1POLB
Iodide SCHEMBL11599406 0.69 MAPT (0.62) MAPTALDH1A1KDM4ETDP1POLB
SCHEMBL6658511 0.68 KDM4E (0.42) MAPTALDH1A1KDM4ETDP1POLB

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
US-4145537-A BENZOTHIAZOLIUM DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 — — US disclosed
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