SCHEMBL19240016

SCHEMBL19240016

CCCN1CCC/C1=C\C=C1\SC(=S)N(C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.50
▸ ALDH1A1 P00352 11/20 0.50
▸ MEN1 O00255 10/20 0.50
▸ KMT2A Q03164 10/20 0.50
▸ RAB9A P51151 8/20 0.50
▸ SMN1; SMN2 Q16637 6/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ STAT1 P42224 1/20 0.50
▸ USP2 O75604 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ IDE P14735 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPK1 P28482 5/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TNNI3 P19429 1/20 0.41

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
SCHEMBL19240014 0.82 MAPT (0.60) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL19240078 0.76 MEN1 (0.68) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL19240079 0.73 MEN1 (0.49) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL14582093 0.73 ALDH1A1 (0.63) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL19240080 0.68 MEN1 (0.42) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL19240045 0.68 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL19240056 0.67 ALDH1A1 (0.54) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL19240012 0.67 ALDH1A1 (0.36) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL19240009 0.67 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL19249906 0.67 MEN1 (0.33) MAPTALDH1A1MEN1KMT2ARAB9A

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
US-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
US-20170235032-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 — — US disclosed
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