SCHEMBL6291928

SCHEMBL6291928

CO/C(=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CCCC1=O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATP6V1B1 P15313 4/20 0.66
ATP6AP1 Q15904 1/20 0.55
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
ATM Q13315 1/20 0.44
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL6296252 0.80 ATP6V1B1 (0.80) ATP6V1B1ATP6AP1
SCHEMBL6291933 0.79 ATP6V1B1 (0.94) ATP6V1B1ATP6AP1
SCHEMBL6296430 0.79 ATP6V1B1 (0.73) ATP6V1B1ATP6AP1
SCHEMBL6292838 0.78 ATP6V1B1 (0.88) ATP6V1B1ATP6AP1KDM4EALDH1A1CYP1A2
SCHEMBL6291918 0.77 ATP6V1B1 (0.76) ATP6V1B1
SCHEMBL6292791 0.74 ATP6V1B1 (0.68) ATP6V1B1ATP6AP1
SCHEMBL6296259 0.73 ATP6V1B1 (0.76) ATP6V1B1ATP6AP1TSHRHSD17B10CYP1A2
SCHEMBL6292859 0.73 ATP6V1B1 (0.76) ATP6V1B1ATP6AP1TSHRHSD17B10CYP1A2
SCHEMBL8344194 0.73 ATP6V1B1 (0.69) ATP6V1B1ATP6AP1
SCHEMBL6291639 0.72 ATP6AP1 (0.81) ATP6V1B1ATP6AP1KDM4EALDH1A1

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-6903117-B2 Indole derivatives for the treatment of osteoporosis NIKEM RESEARCH S.R.L. (IT) 2005-06-07 US disclosed