SCHEMBL8024989

SCHEMBL8024989

CCOC(=O)c1sc2cc(COC(C)=O)ccc2c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
MCL1 Q07820 2/20 0.48
BCL2L1 Q07817 1/20 0.48
RXFP1 Q9HBX9 3/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 3/20 0.42
TSHR P16473 2/20 0.42
PRNP P04156 1/20 0.42
PPARG P37231 1/20 0.42
HTT P42858 1/20 0.42
MAPK10 P53779 1/20 0.42
NCOA2 Q15596 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8010924 0.87 MCL1 (0.52) MAPTNPC1RAB9ALMNAGAA
SCHEMBL8020988 0.85 CYP4F2 (0.54) MAPTNPC1RAB9ALMNAGAA
SCHEMBL8010663 0.84 BCL2L1 (0.67) MAPTNPC1RAB9ALMNAGAA
SCHEMBL31483496 0.80 MAPT (0.49) MAPTNPC1RAB9ALMNAGAA
SCHEMBL6824033 0.80 MAPT (0.49) MAPTNPC1RAB9ALMNAGAA
SCHEMBL8021187 0.77 DYRK1A (0.53) MAPTNPC1RAB9ALMNAGAA
SCHEMBL6245982 0.77 MAPT (0.52) MAPTLMNAGAARXFP1TP53
SCHEMBL30099150 0.77 LMNA (0.48) MAPTNPC1RAB9ALMNAGAA
SCHEMBL28836579 0.77 LMNA (0.48) MAPTNPC1RAB9ALMNAGAA
SCHEMBL8021674 0.76 TBXAS1 (0.74) TP53SMN1; SMN2MAPK1KMT2A

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-6040309-A ACTIVE MATERIAL TREATING OF RESTENOSIS, RENAL FAILURE, PULMONARY HYPERTENSION, BENIGN PROSTATIC HYPERTROPHY, MALE ERECTILE DYSFUNCTION, CONGESTIVE HEART FAILURE, STROKE, ANGINA, ATHEROSCLEROSIS, CEREBRAL AND CARDIAC ISCHAEMIA PFIZER, INC. (US) 2000-03-21 US disclosed
EP-0921124-A1 Benzothiophene derivatives useful in therapy Pfizer Limited (GB) 1999-06-09 EP disclosed