SCHEMBL9301103

SCHEMBL9301103

Cn1c(CO)c(-c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.56
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
F2R P25116 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
F2RL3 Q96RI0 1/20 0.52
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
EIF4H Q15056 1/20 0.42
CENPE Q02224 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PDE10A Q9Y233 1/20 0.40
GPR3 P46089 1/20 0.40
PRKAA2 P54646 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39

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
SCHEMBL9299635 0.85 MAPK14 (0.56) MAPK14KMT2AMAPTLMNASMN1; SMN2
SCHEMBL7141401 0.81 HMGCR (0.50) MAPK14LMNASMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL10551162 0.78 MAPK14 (0.52) MAPK14KMT2AMAPTLMNASMN1; SMN2
SCHEMBL9302124 0.73 L3MBTL1 (0.59) MAPK14KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL17883127 0.72 L3MBTL1 (0.53) MAPK14KMT2AMAPTLMNASMN1; SMN2
SCHEMBL9301200 0.72 ELANE (0.53) MAPK14KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL14026609 0.71 HMGCR (0.48) MAPK14LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9764062 0.71 CDC25A (0.44) MAPK14LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7142742 0.70 HMGCR (0.47) MAPK14MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL3993339 0.70 HMGCR (0.47) MAPK14LMNASMN1; SMN2ALDH1A1KDM4E

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