SCHEMBL13732292

SCHEMBL13732292

Cc1cc(C)cc(-c2ccc3c(CCC(C)C)cccc3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
ESR1 P03372 4/20 0.35
DHODH Q02127 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
MAPT P10636 2/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
POLB P06746 1/20 0.32
TGFBR1 P36897 1/20 0.32
GAA P10253 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SYK P43405 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL17680368 0.86 AR (0.32) DHODHSMN1; SMN2MAPTABCB1ABCG2
SCHEMBL10319231 0.86 DHODH (0.40) NOS3NOS1NOS2DHODHSMN1; SMN2
SCHEMBL17666817 0.85 AR (0.33) DHODHSMN1; SMN2MAPTABCB1ABCG2
SCHEMBL17680359 0.85 TLR8 (0.39) NOS3NOS1NOS2DHODHSMN1; SMN2
SCHEMBL16362419 0.81 DHODH (0.36) NOS3NOS1NOS2DHODHSMN1; SMN2
SCHEMBL17666818 0.80 CDK9 (0.35) DHODHSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL24513499 0.80 TACR3 (0.36) DHODHSMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL13731884 0.79 GRM2 (0.35) SMN1; SMN2MAPTABCB1ABCG2GAA
SCHEMBL28865795 0.77 KMT2A (0.34) DHODHSMN1; SMN2MAPTPOLBKDM4E
SCHEMBL16338555 0.77 DHODH (0.38) DHODHMAPTALDH1A1

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-2012148511-A1 5-SUBSTITUTED 2-PHENYLQUINOLINE COMPLEXES MATERIALS FOR LIGHT EMITTING DIODE UNIVERSAL DISPLAY CORPORATION (US) 2012-11-01 WO disclosed