SCHEMBL5494445

SCHEMBL5494445

CCCCCCCCCCCCCCc1cccnc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.47
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNH2 Q12809 2/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 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
SCHEMBL31575912 1.00 LIPG (0.47) LIPGTDP1L3MBTL1KCNH2CYP11B1
SCHEMBL601689 1.00 LIPG (0.47) LIPGTDP1L3MBTL1KCNH2CYP11B1
SCHEMBL2184230 1.00 LIPG (0.47) LIPGTDP1L3MBTL1KCNH2CYP11B1
SCHEMBL11521698 1.00 LIPG (0.47) LIPGTDP1L3MBTL1KCNH2CYP11B1
Water SCHEMBL28194264 0.98 LIPG (0.46) LIPGTDP1L3MBTL1KCNH2CYP11B1
SCHEMBL27938298 0.93 CYP11B1 (0.44) LIPGTDP1L3MBTL1CYP11B1CYP11B2
SCHEMBL7941717 0.85 CYP11B1 (0.46) L3MBTL1CYP11B1CYP11B2
SCHEMBL744049 0.84 CYP11B1 (0.42) LIPGCYP11B1CYP11B2
SCHEMBL742131 0.84 CYP11B1 (0.42) LIPGCYP11B1CYP11B2
SCHEMBL8720799 0.81 LIPG (0.50) LIPGTDP1L3MBTL1KCNH2BID

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-1678289-B1 BAR SOAP COMPOSITION WITH REDUCED BAR WEAR PROPERTIES COLGATE PALMOLIVE CO (US) 2007-04-11 EP claimed