SCHEMBL14609752

SCHEMBL14609752

CCN(CCN(C)C)C(=O)CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ATM Q13315 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
SCHEMBL14609887 0.86 ATM (0.42) ALDH1A1MEN1KMT2AMKNK1MKNK2
SCHEMBL5211765 0.85 ALDH1A1 (0.42) KDM4EALDH1A1KMT2A
SCHEMBL5207866 0.84 GABRA1 (0.35) KDM4EALDH1A1KMT2A
SCHEMBL5213384 0.84 RXRA (0.47) KDM4EALDH1A1HPGDKMT2A
SCHEMBL5211701 0.83 MKNK1 (0.42) ALDH1A1MEN1KMT2AMKNK1MKNK2
SCHEMBL5212748 0.81 LMNA (0.51) KMT2A
SCHEMBL5211934 0.81 MAPT (0.43) TSPOMEN1KMT2A
SCHEMBL5215187 0.80 FAAH (0.42) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL5212489 0.80 RXRA (0.43) KMT2A
SCHEMBL5215764 0.80 NPC1 (0.48) KDM4EALDH1A1MEN1KMT2AATM

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-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed