SCHEMBL7005634

SCHEMBL7005634

COc1ccc(C)c(-c2ccc3ccccc3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 4/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
ALOX15 P16050 1/20 0.53
AR P10275 6/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2A6 P11509 1/20 0.49
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
NQO2 P16083 1/20 0.47
KMT2A Q03164 1/20 0.47
ACACA Q13085 1/20 0.44
ACP1 P24666 1/20 0.44

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
SCHEMBL14500756 0.82 NCF1 (0.51) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL12319823 0.81 AR (0.57) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7004330 0.79 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL12447362 0.78 AR (0.59) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL15683332 0.78 MEN1 (0.56) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL15216241 0.78 AR (0.50) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL14500747 0.77 NCF1 (0.53) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL4788772 0.77 AR (0.64) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL29986262 0.77 AR (0.64) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7004495 0.76 AR (0.50) SMN1; SMN2KDM4ENPC1RAB9ALMNA

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
WO-2012064499-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-18 WO disclosed