SCHEMBL13635347

SCHEMBL13635347

NC1=CC(Oc2cccc(F)c2)=CCN1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.40
SLC6A4 P31645 7/20 0.40
SLC6A3 Q01959 6/20 0.40
HTR1A P08908 3/20 0.40
KCNH2 Q12809 1/20 0.38
SCN3A Q9NY46 1/20 0.38
MAP4K4 O95819 1/20 0.36
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34
TNK2 Q07912 1/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 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
SCHEMBL7938427 0.69 MAPT (0.46) SLC6A2SLC6A4SLC6A3HTR1AMAP4K4
SCHEMBL6293197 0.67 ALDH1A1 (0.50) SLC6A2SLC6A4SLC6A3HTR1AMAP4K4
SCHEMBL6293224 0.67 ALDH1A1 (0.50) SLC6A2SLC6A4SLC6A3HTR1AMAP4K4
SCHEMBL6289878 0.67 ALDH1A1 (0.50) SLC6A2SLC6A4SLC6A3HTR1AMAP4K4
SCHEMBL6290410 0.67 ALDH1A1 (0.50) SLC6A2SLC6A4SLC6A3HTR1AMAP4K4
SCHEMBL6289927 0.67 ALDH1A1 (0.50) SLC6A2SLC6A4SLC6A3HTR1AMAP4K4
SCHEMBL5492733 0.67 MAOB (0.67) SLC6A2SLC6A4SLC6A3MAP4K4POLB
SCHEMBL1339341 0.66 GAA (0.64) SLC6A2SLC6A4SLC6A3HTR1AMAP4K4
SCHEMBL6289347 0.65 ALDH1A1 (0.54) SLC6A2SLC6A4SLC6A3HTR1AKCNH2
SCHEMBL6290496 0.65 ALDH1A1 (0.54) SLC6A2SLC6A4SLC6A3HTR1AKCNH2

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-2119706-A1 PYRIDINE OR PYRIMIDINE DERIVATIVE HAVING EXCELLENT CELL GROWTH INHIBITION EFFECT AND EXCELLENT ANTI-TUMOR EFFECT ON CELL STRAIN HAVING AMPLIFICATION OF HGFR GENE Eisai R&D Management Co., Ltd. (JP) 2009-11-18 EP disclosed