SCHEMBL2173395

SCHEMBL2173395

CC1(CN2C(=O)SC(=Cc3ccc(NC(=O)C4CCCCC4)cc3)C2=O)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.53
MTOR P42345 1/20 0.53
PRKAG1 P54619 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAB1 Q9Y478 1/20 0.50
MEN1 O00255 1/20 0.45
PTPN7 P35236 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AKR1B1 P15121 4/20 0.41
PPARG P37231 1/20 0.41
KDR P35968 2/20 0.41
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL12406606 1.00 AURKA (0.53) AURKAMTORPRKAG1PRKAA1PRKAB1
Cyclohexane SCHEMBL15204208 0.87 AURKA (0.59) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2174408 0.87 AURKA (0.56) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2174406 0.87 AURKA (0.56) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2171887 0.85 AURKA (0.55) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2171893 0.85 AURKA (0.55) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2173236 0.84 AURKA (0.53) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2173232 0.84 AURKA (0.53) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2172295 0.83 KDR (0.58) AURKAMTORPRKAG1PRKAA1PRKAB1
SCHEMBL2172299 0.83 KDR (0.58) AURKAMTORPRKAG1PRKAA1PRKAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US claimed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US disclosed