SCHEMBL8396387

SCHEMBL8396387

CCCc1cccc(Oc2ccccc2N)c1Oc1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.41
ADRA2B P18089 2/20 0.40
PTGS1 P23219 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC6A4 P31645 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
RCE1 Q9Y256 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL3071329 0.86 ALDH1A1 (0.50) KDM4EMAPTCRHBPCRHR2CYP1A2
Ammonia Solution, Strong SCHEMBL10454328 0.85 CYP1A2 (0.49) KDM4EMAPTCRHBPCRHR2CYP1A2
SCHEMBL1660710 0.79 SLC6A4 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2B
SCHEMBL7656175 0.77 HRH1 (0.50) SLC6A4SLC6A2SLC6A3
SCHEMBL29406841 0.76 HRH1 (0.42) MAPTALDH1A1GAATDP1SLC6A4
SCHEMBL6289398 0.76 GAA (0.48) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2763252 0.75 HRH1 (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1GAA
SCHEMBL6290765 0.75 ALDH1A1 (0.44) KDM4EMAPTCRHBPCRHR2CYP1A2
SCHEMBL2202797 0.74 SLC6A2 (0.54) ADRA2BSLC6A4SLC6A2SLC6A3TAAR1
SCHEMBL1840411 0.74 SLC6A2 (0.43) ADRA2BSLC6A4SLC6A2SLC6A3HTR1A

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
EP-0770638-B1 Polyimide compositions for electrodeposition and coatings formed of the same ITATANI HIROSHI (JP) 1999-06-02 EP claimed