SCHEMBL21708685

SCHEMBL21708685

COc1cccc(F)c1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MAPK1 P28482 2/20 0.49
SLC2A1 P11166 1/20 0.45
SLC2A4 P14672 1/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 2/20 0.45
RAB9A P51151 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KRAS P01116 2/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL3755885 0.87 MAPK1 (0.56) KMT2AMAPK1NPC1SMN1; SMN2KDM4E
SCHEMBL1994318 0.85 KMT2A (0.49) KMT2AMAPK1SLC2A1SLC2A4KDM4E
SCHEMBL2875254 0.83 MAPK1 (0.62) KMT2AMAPK1NPC1KDM4EALDH1A1
SCHEMBL7116065 0.83 ALDH1A1 (0.46) KMT2AMAPK1SLC2A1SLC2A4NPC1
SCHEMBL2398457 0.81 KMT2A (0.52) KMT2ASLC2A1SLC2A4NPC1SMN1; SMN2
SCHEMBL6026883 0.80 KMT2A (0.51) KMT2ASLC2A1SLC2A4NPC1SMN1; SMN2
SCHEMBL6199258 0.80 MAPT (0.53) KMT2AMAPK1NPC1KDM4EALDH1A1
SCHEMBL3327023 0.79 MAPK1 (0.58) KMT2AMAPK1NPC1SMN1; SMN2KDM4E
SCHEMBL28782497 0.79 MAPK1 (0.49) KMT2AMAPK1NPC1SMN1; SMN2KDM4E
SCHEMBL5743633 0.79 TUBB4A (0.45) KMT2AMAPK1RAB9AHTTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
CN-110730776-A Substituted N-arylethyl-2-arylquinoline-4-carboxamides and their use 拜耳股份公司 2020-01-24 CN disclosed