SCHEMBL27768604

SCHEMBL27768604

Cc1cccc(C2(O)CCc3ccccc32)c1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
MAOB P27338 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
BRD4 O60885 1/20 0.36
LMNA P02545 1/20 0.36
HDAC9 Q9UKV0 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
KIF11 P52732 1/20 0.35
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
HDAC4 P56524 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL6289733 0.88 KDM1A (0.41) KDM1AMAOBTDP1MAPK1SMN1; SMN2
SCHEMBL19130585 0.88 KDM1A (0.41) KDM1AMAOBTDP1MAPK1SMN1; SMN2
SCHEMBL3053835 0.77 KDM1A (0.43) KDM1AMAOBTDP1MAPK1SMN1; SMN2
SCHEMBL6946652 0.73 SIGMAR1 (0.55) KDM1AMAOBSIGMAR1
SCHEMBL19130584 0.73 HDAC9 (0.50) KDM1AMAOBTDP1ALDH1A1TP53
SCHEMBL5796055 0.73 HDAC9 (0.50) KDM1AMAOBTDP1ALDH1A1TP53
SCHEMBL7171860 0.71 PDK2 (0.43) SIGMAR1TSHR
SCHEMBL6285519 0.70 HDAC4 (0.44) KDM1AMAOBTDP1MAPK1SMN1; SMN2
SCHEMBL9652648 0.69 SIGMAR1 (0.35) KDM1AMAOBTDP1MAPK1SMN1; SMN2
SCHEMBL2267707 0.69 SIGMAR1 (0.54) SIGMAR1TRPA1ATM

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
CN-101489984-A Aminoindan derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-07-22 CN disclosed