SCHEMBL27708481

SCHEMBL27708481

NCc1cccc(Nc2ccc(N)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX12 P18054 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LOXL2 Q9Y4K0 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTR6 P50406 1/20 0.45
AR P10275 1/20 0.43
RAD52 P43351 1/20 0.42

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
SCHEMBL26088637 0.95 MAPT (0.50) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL27903338 0.88 HTR6 (0.53) MAPTALDH1A1MEN1KMT2ALOXL2
SCHEMBL27747311 0.87 KDM4E (0.62) MAPTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL27473567 0.86 ALDH1A1 (0.60) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL28406911 0.84 LOXL2 (0.71) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8067239 0.84 RAPGEF4 (0.54) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL27977809 0.84 ENPP2 (0.55) MAPTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL20049388 0.82 MAPT (0.73) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
Biphenyl SCHEMBL27570267 0.81 TAAR1 (0.55) MAPTALDH1A1CYP3A4ALOX12L3MBTL1
SCHEMBL27623210 0.79 ALDH1A1 (0.61) MAPTALDH1A1CYP1A2CYP3A4CYP2C9

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
CN-101208406-A Synthesis of phenyl-substituted polyfluoroanthenes and the use thereof BASF AG (DE) 2008-06-25 CN disclosed