SCHEMBL13060690

SCHEMBL13060690

Cc1cccc(CN(CCN(C)C)Cc2ccccc2N2CCOCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
PIK3CB P42338 3/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 1/20 0.36
KCNQ2 O43526 1/20 0.36
TP53 P04637 1/20 0.36
AOC3 Q16853 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL13005588 0.86 CALM1 (0.38) CALM1CAMKK2PIK3CBKDM4EGAA
SCHEMBL13060673 0.77 CALM1 (0.50) CALM1CAMKK2HSD17B10KDM4ELMNA
SCHEMBL13060653 0.77 RORC (0.35) PIK3CBPIK3CDPIK3CAPIK3CGALOX15
SCHEMBL10039143 0.75 CALM1 (0.64) CALM1CAMKK2KDM4ELMNAALDH1A1
SCHEMBL13005540 0.75 CALM1 (0.40) CALM1CAMKK2KDM4EGAAALDH1A1
SCHEMBL13061100 0.73 CALM1 (0.55) CALM1CAMKK2KDM4EALDH1A1
SCHEMBL13061135 0.71 CALM1 (0.44) CALM1CAMKK2HSD17B10KDM4ELMNA
SCHEMBL13670051 0.69 MAPT (0.48) PIK3CBPIK3CDPIK3CAPIK3CGKDM4E
SCHEMBL13060700 0.68 CALM1 (0.65) CALM1CAMKK2HSD17B10KDM4EALDH1A1
SCHEMBL6509065 0.67 PKM (0.60) ALOX15HSD17B10KDM4ELMNAMAPT

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-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed