SCHEMBL10779358

SCHEMBL10779358

O=C1CCc2cc(-c3cscn3)ccc2N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ NPC1 O15118 2/20 0.61
▸ MMP12 P39900 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PDE3B Q13370 4/20 0.51
▸ PDE3A Q14432 4/20 0.51
▸ CYP11B1 P15538 3/20 0.51
▸ CYP11B2 P19099 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ TBXAS1 P24557 2/20 0.51
▸ KIF11 P52732 1/20 0.51
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2B6 P20813 1/20 0.46

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
SCHEMBL4057929 0.87 PDE3B (0.60) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL6740939 0.79 KDM1A (0.51) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL5068409 0.77 MAPT (1.00) MAPTALDH1A1POLBHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL21799330 0.76 MAPT (0.97) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL7314031 0.76 MAPT (1.00) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL23558362 0.74 MAPT (0.51) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL4596554 0.73 KIF11 (0.68) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL8525270 0.73 SMN1; SMN2 (0.70) MAPTALDH1A1POLBHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL6202875 0.72 MAPT (0.64) MAPTALDH1A1POLBHTTSMN1; SMN2
Bromide SCHEMBL6201510 0.72 MAPT (0.64) MAPTALDH1A1POLBHTTSMN1; 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-62048679-A — — None — — JP disclosed
JP-S6248679-A CARBOSTYRIL DERIVATIVE OTSUKA PHARMACEUT CO LTD 1987-03-03 — — JP disclosed
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