SCHEMBL10949720

SCHEMBL10949720

CC1C(=O)Nc2c(C(=O)c3ccc(F)cc3)cccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LTA4H P09960 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 3/20 0.34
LMNA P02545 1/20 0.34
BDKRB1 P46663 1/20 0.33
HTR1F P30939 1/20 0.33
GRM5 P41594 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL9747889 0.86 AKR1C3 (0.44) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL9748582 0.86 NR4A1 (0.44) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL10948913 0.83 ALDH1A1 (0.35) ALDH1A1LTA4HKDM4EMAPTGAA
SCHEMBL9747406 0.75 MAPT (0.37) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL9748589 0.75 KMT2A (0.39) ALDH1A1MAPTLMNATP53MEN1
SCHEMBL10950202 0.73 GAA (0.34) ALDH1A1KDM4EMAPTGAALMNA
SCHEMBL9747790 0.73 PGR (0.42) ALDH1A1KDM4EMAPTGAALMNA
SCHEMBL24112722 0.73 MEN1 (0.42) ALDH1A1GAAMEN1KMT2A
SCHEMBL24112851 0.73 MEN1 (0.42) ALDH1A1GAAMEN1KMT2A
SCHEMBL11478104 0.70 AKR1C3 (0.39) ALDH1A1MAPTGAAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4503073-A ANTIINFLAMMATORY, ANALGESIC, ANTICOAGULANT A. H. ROBINS COMPANY, INCORPORATED (US) 1985-03-05 US disclosed