SCHEMBL9302124

SCHEMBL9302124

Cn1c(C=O)c(-c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.59
TDP1 Q9NUW8 4/20 0.59
MAPK14 Q16539 3/20 0.56
ATM Q13315 3/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43
CYP2C9 P11712 3/20 0.42
SIRT6 Q8N6T7 2/20 0.42
ABCC3 O15438 1/20 0.42
ABCB11 O95342 1/20 0.42
HMGCR P04035 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
RXRA P19793 1/20 0.42
TBXA2R P21731 1/20 0.42
CCKAR P32238 1/20 0.42
ADRA1A P35348 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
SCHEMBL557586 0.82 MAPK14 (0.51) L3MBTL1TDP1MAPK14ALDH1A1LMNA
SCHEMBL246148 0.81 CYP2C9 (0.58) L3MBTL1TDP1MAPK14ALDH1A1LMNA
SCHEMBL10394285 0.77 MAPK14 (0.42) L3MBTL1TDP1MAPK14ALDH1A1PTGS2
SCHEMBL28236134 0.77 L3MBTL1 (0.54) L3MBTL1TDP1ATMALDH1A1LMNA
SCHEMBL17718403 0.74 TDP1 (0.50) L3MBTL1TDP1ATMALDH1A1LMNA
SCHEMBL9301103 0.73 MAPK14 (0.56) TDP1MAPK14ATMALDH1A1LMNA
SCHEMBL9299635 0.73 MAPK14 (0.56) L3MBTL1TDP1MAPK14ATMALDH1A1
SCHEMBL31517747 0.72 MAPK14 (0.47) MAPK14ALDH1A1LMNASMN1; SMN2CYP2C9
SCHEMBL1092376 0.72 L3MBTL1 (0.55) L3MBTL1TDP1ATMALDH1A1LMNA
SCHEMBL17883127 0.72 L3MBTL1 (0.53) L3MBTL1TDP1MAPK14ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354772-A Anticholesterol agents SANDOZ PHARM. CORP. (US) 1994-10-11 US disclosed
US-4739073-A ANTICHOLESTEROL AGENTS SANDOZ PHARMACEUTICALS CORP. (US) 1988-04-19 US disclosed
EP-0114027-B1 ANALOGS OF MEVALOLACTONE AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS PHARMACEUTICALS SANDOZ AG (CH) 1988-01-07 EP disclosed
EP-0114027-A1 Analogs of mevalolactone and derivatives thereof, processes for their production, pharmaceutical compositions containing them and their use as pharmaceuticals SANDOZ AG (CH) 1984-07-25 EP disclosed
WO-1984002131-A1 ANALOGS OF MEVALOLACTONE AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS PHARMACEUTICALS SANDOZ AG (CH) 1984-06-07 WO disclosed