SCHEMBL2905121

SCHEMBL2905121

Cc1c(C)c2c(c(C)c1NC(=O)c1ccncc1)C(c1ccc(C(C)C)cc1)C(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
TYK2 P29597 1/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 3/20 0.35
DEGS1 O15121 1/20 0.35

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
Hydrochloric Acid SCHEMBL2942902 0.99 ROCK2 (0.37) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL2911427 0.90 LMNA (0.40) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL2905201 0.89 LMNA (0.36) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL2912995 0.89 SMN1; SMN2 (0.39) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL2913207 0.89 RAB9A (0.51) RAB9ANPC1PRKAB2PRKAG1PRKAA2
SCHEMBL2905197 0.88 KDM4E (0.35) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL2909184 0.87 RAB9A (0.41) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL2913347 0.87 RAB9A (0.42) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL4092709 0.85 TP53 (0.31) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL2938828 0.83 RAB9A (0.42) RAB9ANPC1ALDH1A1KDM4EMAPT

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
EP-1481679-B1 ANTIDEPRESSANT TAKEDA PHARMACEUTICAL (JP) 2010-08-25 EP disclosed