SCHEMBL9520530

SCHEMBL9520530

COC(=O)C(C(=O)Nc1ccc(F)cc1)=C1SCS1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 7/20 0.43
NPC1 O15118 4/20 0.43
MAPK1 P28482 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 3/20 0.43
ATM Q13315 1/20 0.42
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
XBP1 P17861 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL209203 0.78 MAPT (0.69) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL9521395 0.74 ADRA1A (0.41) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL9521689 0.73 POLB (0.45) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL9521622 0.73 TRPV4 (0.43) RAB9ANPC1SMN1; SMN2
SCHEMBL9521170 0.72 SMN1; SMN2 (0.50) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL9674557 0.71 ADRA1A (0.59) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL3276446 0.71 ALDH1A1 (0.58) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL3276441 0.71 ALDH1A1 (0.58) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL21568085 0.70 ALDH1A1 (0.67) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL9706750 0.69 NAPRT (0.42) MAPTALDH1A1RAB9ANPC1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366614-B1 PHARMACEUTICALLY ACTIVE DITHIOKETENE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1993-09-01 EP disclosed
US-5103013-A For treating liver disorders YUHAN CORPORATION, LTD. (KR) 1992-04-07 US disclosed
EP-0366614-A2 Pharmaceutically active dithioketene derivatives YUHAN CORPORATION, LTD. (KR) 1990-05-02 EP disclosed