SCHEMBL7004097

SCHEMBL7004097

CCCN(CCC)c1cc(-c2ccc3ccccc3n2)cc(N(CCC)CCC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
CYP3A4 P08684 3/20 0.46
AR P10275 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 6/20 0.46
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
PKM P14618 2/20 0.44
HPGD P15428 2/20 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
SCHEMBL7004637 0.89 NPC1 (0.47) NPC1RAB9ACYP3A4ARCYP1A2
SCHEMBL7005582 0.82 NPC1 (0.44) NPC1RAB9ACYP3A4ARCYP1A2
SCHEMBL7004636 0.81 RAB9A (0.51) NPC1RAB9ACYP3A4ARCYP1A2
SCHEMBL15249330 0.80 AR (0.51) NPC1RAB9ACYP3A4ARCYP1A2
SCHEMBL7004432 0.78 AR (0.40) NPC1RAB9AARCYP1A2SMN1; SMN2
SCHEMBL61467 0.75 NPC1 (0.56) NPC1RAB9ACYP3A4ARCYP1A2
SCHEMBL8738496 0.74 NPC1 (0.50) NPC1RAB9ACYP3A4ARCYP1A2
SCHEMBL7007827 0.72 NPC1 (0.49) NPC1RAB9ACYP3A4ARCYP1A2
SCHEMBL10079213 0.72 NPC1 (0.59) NPC1RAB9ACYP3A4ARCYP1A2
SCHEMBL13701721 0.72 NCF1 (0.60) NPC1RAB9ACYP1A2MEN1KMT2A

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