SCHEMBL28059585

SCHEMBL28059585

C=C(Cl)CONc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
GAA P10253 2/20 0.50
XBP1 P17861 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
IDO1 P14902 1/20 0.42
RHOC P08134 1/20 0.42
RHOA P61586 1/20 0.42
CA12 O43570 1/20 0.41

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
SCHEMBL28217086 0.78 MAPT (0.43) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL28059659 0.76 GPR174 (0.35) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL11409430 0.74 L3MBTL1 (0.51) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL14995940 0.74 L3MBTL1 (0.65) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL29876277 0.73 L3MBTL1 (0.54) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL31590848 0.73 L3MBTL1 (0.54) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL27373525 0.72 ALDH1A1 (0.44) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL11406613 0.72 L3MBTL1 (0.53) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL13434288 0.72 L3MBTL1 (0.50) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL17681586 0.71 MAPT (0.51) MAPTMEN1KMT2ANPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440515-A Substituted benzofuranyl and benzoxazole based compound and application thereof 卡尔约药物治疗公司 2018-08-24 CN disclosed
CN-105492437-B Substituted benzofuranyl and benzoxazolyl compounds and uses thereof 卡尔约药物治疗公司 2018-05-11 CN disclosed
CN-105492437-A Substituted benzofuranyl and benzoxazolyl compounds and uses thereof KARYOPHARM THERAPEUTICS INC 2016-04-13 CN disclosed