SCHEMBL7004636

SCHEMBL7004636

CN(C)c1cc(-c2ccc3ccccc3n2)cc(N(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
NPC1 O15118 8/20 0.51
CYP3A4 P08684 3/20 0.51
CYP1A2 P05177 3/20 0.51
AR P10275 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
NCF1 P14598 1/20 0.50
MAPT P10636 5/20 0.49
HPGD P15428 3/20 0.49
TP53 P04637 2/20 0.49

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
SCHEMBL62397 0.84 RAB9A (0.61) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL7004637 0.82 NPC1 (0.47) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL7004097 0.81 NPC1 (0.46) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL7005582 0.79 NPC1 (0.44) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL29638020 0.77 NPC1 (0.59) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL10079213 0.77 NPC1 (0.59) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL21173048 0.76 RAB9A (0.60) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL7004760 0.75 NCF1 (0.42) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL21215644 0.75 RAB9A (0.55) RAB9ANPC1CYP3A4CYP1A2AR
SCHEMBL12112870 0.75 RAB9A (0.80) RAB9ANPC1CYP3A4CYP1A2AR

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