SCHEMBL8348153

SCHEMBL8348153

NCCCCc1ncc(C(F)(F)F)cc1N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.39
CFTR P13569 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH4 Q9H3N8 3/20 0.35
HRH3 Q9Y5N1 3/20 0.35
HRH1 P35367 7/20 0.35
CACNA1H O95180 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HRH2 P25021 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3926418 0.83 TDP1 (0.51) TDP1L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL21433001 0.80 AGBL2 (0.44) AGBL2CFTRTDP1L3MBTL1ALDH1A1
SCHEMBL3771280 0.77 TDP1 (0.52) TDP1L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL27305171 0.75 KMT2A (0.40) AGBL2CFTRTDP1L3MBTL1ALDH1A1
Hydrazine SCHEMBL3964002 0.75 TDP1 (0.50) TDP1L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL10921134 0.75 NOS3 (0.38) HRH4HRH3HRH1HRH2
SCHEMBL8346116 0.75 HRH3 (0.37) HRH4HRH3HRH1HRH2
SCHEMBL10377543 0.75 HTT (0.38) HRH4HRH3HRH1HRH2KMT2A
SCHEMBL10920431 0.73 HRH1 (0.39) HRH4HRH3HRH1HRH2
SCHEMBL3925047 0.73 L3MBTL1 (0.47) AGBL2CFTRL3MBTL1ALDH1A1KDM4E

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-1999021870-A1 ERYTHROMYCIN A 11, 12-CARBAMATE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 1999-05-06 WO disclosed