SCHEMBL12435745

SCHEMBL12435745

c1cc(-c2ccc3ccccc3c2)nc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.50
CYP1A2 P05177 4/20 0.41
MAOB P27338 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
AR P10275 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL12435734 0.88 PIM1 (0.47) PIM1CYP1A2MAOBALDH1A1MAPT
SCHEMBL28136194 0.87 PIM1 (0.55) PIM1CYP1A2MAOBALDH1A1MAPT
SCHEMBL15996513 0.85 CYP1A2 (0.41) PIM1CYP1A2MAOBALDH1A1MAPT
SCHEMBL12767934 0.85 CYP1A2 (0.41) PIM1CYP1A2MAOBALDH1A1MAPT
SCHEMBL15977646 0.84 PIM1 (0.47) PIM1CYP1A2MAOBALDH1A1MAPT
SCHEMBL29350427 0.84 PIM1 (0.47) PIM1CYP1A2ALDH1A1MAPTCYP2C9
SCHEMBL536536 0.84 PIM1 (0.47) PIM1CYP1A2ALDH1A1MAPTCYP2C9
SCHEMBL12436209 0.83 CYP1A1 (0.47) PIM1CYP1A2ALDH1A1MAPTSMN1; SMN2
SCHEMBL12436964 0.83 CYP1A1 (0.47) PIM1CYP1A2ALDH1A1MAPTSMN1; SMN2
SCHEMBL12767964 0.82 PIM1 (0.42) PIM1CYP1A2MAOBALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011037380-A9 NOVEL ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2011-08-04 WO disclosed
WO-2011037380-A2 NOVEL ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2011-03-31 WO disclosed