SCHEMBL17997446

SCHEMBL17997446

Cc1ccc(Nc2ccc(C=C(c3ccccc3)c3ccc(-c4ccc(C=C(c5ccccc5)c5ccc(C)cc5C)cc4)cc3C)cc2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 2/20 0.41
JAK2 O60674 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGS2 P35354 1/20 0.39
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
KDR P35968 1/20 0.36
NFE2L2 Q16236 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GFER P55789 1/20 0.35
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34

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
SCHEMBL17997464 0.92 PTGS2 (0.44) MAPTSMN1; SMN2GAAALDH1A1ALOX12
SCHEMBL17997460 0.92 PTGS2 (0.41) MAPTSMN1; SMN2GAAALDH1A1ALOX12
SCHEMBL17997449 0.91 PTGS2 (0.48) MAPTSMN1; SMN2GAAALDH1A1ALOX12
SCHEMBL17997454 0.89 RAPGEF4 (0.43) MAPTSMN1; SMN2ALDH1A1HTTJAK2
SCHEMBL17997456 0.88 PTGS2 (0.39) MAPTSMN1; SMN2GAAALDH1A1ALOX12
SCHEMBL13007202 0.87 PTGS2 (0.51) MAPTSMN1; SMN2GAAALDH1A1ALOX12
SCHEMBL14079198 0.83 PTGS2 (0.44) MAPTSMN1; SMN2GAAALDH1A1ALOX12
SCHEMBL22893442 0.83 PTGS2 (0.44) MAPTSMN1; SMN2GAAALDH1A1ALOX12
SCHEMBL17997457 0.81 PTGS2 (0.50) MAPTSMN1; SMN2GAAHTTRAB9A
SCHEMBL17997452 0.78 PTGS2 (0.57) MAPTSMN1; SMN2ALDH1A1RAB9APTGS2

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-20160231658-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR AND IMAGE FORMING APPARATUS Konica Minolta, Inc. (JP) 2016-08-11 US disclosed