SCHEMBL28111126

SCHEMBL28111126

Fc1ccc(NN2C[CH]OCC2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.42
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.38
PLA2G1B P04054 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC2A1 P11166 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36

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
SCHEMBL27262053 0.82 LMNA (0.64) KMT2ALMNAMAPTALDH1A1MEN1
SCHEMBL5550802 0.77 MAPT (0.56) KMT2ALMNAMAPTALDH1A1MEN1
SCHEMBL5550024 0.75 MAPT (0.55) KMT2ALMNAMAPTALDH1A1MEN1
SCHEMBL5550676 0.73 MAPT (0.46) KMT2ALMNAMAPTALDH1A1MEN1
SCHEMBL5550840 0.71 KMT2A (0.47) KMT2ALMNAMAPTALDH1A1MEN1
SCHEMBL5550036 0.69 KMT2A (0.45) KMT2ALMNAMAPTALDH1A1MEN1
SCHEMBL5547460 0.68 ALOX5 (0.46) KMT2ALMNAMAPTALDH1A1MEN1
SCHEMBL28436223 0.67 LMNA (0.47) KMT2ALMNAALDH1A1HTTTSHR
SCHEMBL5551976 0.67 MAPT (0.46) KMT2ALMNAMAPTALDH1A1MEN1
SCHEMBL5546266 0.66 EGFR (0.46) KMT2ALMNAMAPTALDH1A1MEN1

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-106432202-A Quinazoline derivative and application thereof 郑州大学第附属医院 2017-02-22 CN disclosed