SCHEMBL28079595

SCHEMBL28079595

C1=CC(Cc2ccccc2)(Cc2ccccc2)C=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.38
MAOB P27338 7/20 0.38
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CALM1 P0DP23 1/20 0.33
KDM1A O60341 4/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 2/20 0.31
IDO1 P14902 1/20 0.31
TP53 P04637 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
TRPA1 O75762 1/20 0.31
HSD11B1 P28845 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL28199313 0.72 MAOA (0.32) MAOAMAOBTSHRALDH1A1TP53
SCHEMBL28325916 0.68 MAOA (0.32) MAOAMAOBTSHRHSD11B1
SCHEMBL9866149 0.64 TLR9 (0.49) MAOAMAOBLMNAHTTNPSR1
SCHEMBL26124382 0.62
SCHEMBL27589212 0.62 MAOA (0.38) MAOAMAOBCALM1KDM1ATSHR
SCHEMBL28987021 0.59 MAOB (0.43) MAOAMAOBCALM1KDM1ATSHR
SCHEMBL5282506 0.59 MAOB (0.43) MAOAMAOBCALM1KDM1ATSHR
SCHEMBL4264901 0.59 KCNQ2 (0.55) MAOAMAOBLMNAHTTNPSR1
SCHEMBL10446224 0.58 MAOA (0.41) MAOAMAOBCALM1KDM1ATSHR
Hydrochloric Acid SCHEMBL28727280 0.58 MAOA (0.41) MAOAMAOBCALM1KDM1ATSHR

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-103765657-B Nonaqueous electrolyte secondary battery and positive electrode sheet for same 日东电工株式会社 2016-11-02 CN disclosed