SCHEMBL20143893

SCHEMBL20143893

COc1cc(C(C)=O)ccc1OCCCN

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MAOB P27338 2/20 0.60
MEN1 O00255 3/20 0.58
PRSS1 P07477 4/20 0.57
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
TSHR P16473 2/20 0.51
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL6856717 0.91 KMT2A (0.76) KMT2AMAOBMEN1PRSS1MAPK1
SCHEMBL9798517 0.87 MAPT (0.59) KMT2APRSS1MAPK1SMN1; SMN2TSHR
SCHEMBL4001162 0.86 KMT2A (0.66) KMT2AMAOBMEN1PRSS1MAPK1
SCHEMBL29842346 0.86 KMT2A (0.66) KMT2AMAOBMEN1PRSS1MAPK1
SCHEMBL470710 0.86 KMT2A (0.66) KMT2AMAOBMEN1PRSS1MAPK1
SCHEMBL10260429 0.86 KMT2A (0.66) KMT2AMAOBMEN1PRSS1MAPK1
SCHEMBL1545288 0.85 KMT2A (0.64) KMT2AMAOBMEN1PRSS1MAPK1
SCHEMBL22502336 0.85 THRA (0.64) KMT2AMAOBMEN1PRSS1TSHR
SCHEMBL10460872 0.85 KMT2A (0.64) KMT2AMAOBMEN1PRSS1SMN1; SMN2
SCHEMBL6973871 0.85 KMT2A (0.64) KMT2AMAOBMEN1PRSS1MAPK1

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
US-9969692-B2 Process for preparing quinoline derivatives EXELIXIS, INC. (US) 2018-05-15 US disclosed