SCHEMBL10187274

SCHEMBL10187274

CCCOc1ccc(N)cc1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
ALDH1A1 P00352 4/20 0.68
GAA P10253 3/20 0.68
KDM4E B2RXH2 3/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
USP2 O75604 1/20 0.68
TP53 P04637 1/20 0.68
POLB P06746 1/20 0.68
CASP1 P29466 1/20 0.68
HTT P42858 1/20 0.68
CASP7 P55210 1/20 0.68
ATM Q13315 1/20 0.68
CSNK2A1 P68400 2/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
ESR1 P03372 2/20 0.43

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
SCHEMBL10188110 0.91 ALDH1A1 (0.56) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL20496732 0.90 ALDH1A1 (0.53) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL30694100 0.88 KDM4E (0.52) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL4980066 0.87 TSHR (0.54) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL22342656 0.87 TSHR (0.54) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL25401795 0.87 TSHR (0.54) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL10056869 0.84 KDM4E (0.61) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL4658980 0.83 KDM4E (0.47) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL11704652 0.83 KDM4E (0.47) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL5492231 0.82 MAPT (0.96) MAPTALDH1A1GAAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022129357-A1 COSMETIC COMPOSITION COMPRISING A COMBINATION OF TWO PARTICULAR COUPLERS AND AT LEAST ONE OXIDATION BASE L'OREAL (FR) 2022-06-23 WO disclosed
CN-108884245-B Polyimide film and method for producing same 柯尼卡美能达株式会社 2021-10-29 CN disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed