SCHEMBL10399236

SCHEMBL10399236

CCC(=O)N(CCc1ccc(F)cc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.55
CA1 P00915 10/20 0.55
CA2 P00918 10/20 0.55
CA4 P22748 6/20 0.55
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
OPRM1 P35372 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
TSPO P30536 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RCE1 Q9Y256 1/20 0.50
MEN1 O00255 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL10399412 0.85 LMNA (0.56) CA12CA1CA2CA4KDM4E
SCHEMBL6411621 0.81 LMNA (0.50) CA12CA1CA2CA4KDM4E
SCHEMBL23126336 0.80 RAB9A (0.60) CA12CA1CA2CA4LMNA
SCHEMBL6433208 0.79 ALDH1A1 (0.64) LMNAOPRM1TSPOMEN1RAB9A
SCHEMBL4172097 0.79 ALDH1A1 (0.55) LMNAOPRM1TSPOMEN1RAB9A
SCHEMBL13472619 0.77 ALDH1A1 (0.54) LMNAOPRM1TSPOMEN1RAB9A
SCHEMBL21153738 0.77 GAA (0.53) CA12CA1CA2CA4KDM4E
SCHEMBL7228409 0.76 MEN1 (0.61) CA12CA1CA2CA4LMNA
SCHEMBL14224515 0.76 HDAC1 (0.58) LMNAGAAOPRM1TSPOMEN1
SCHEMBL4160271 0.76 REN (0.54) LMNAOPRM1TSPOMEN1KMT2A

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-4977144-A ADENOSINE AGONISTS CIBA-GEIGY CORPORATION (US) 1990-12-11 US disclosed