SCHEMBL23642857

SCHEMBL23642857

CCc1ccc2[nH]c(-c3ccc(-c4nc5cc(CC)ccc5o4)s3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.48
▸ TP53 P04637 9/20 0.48
▸ RAB9A P51151 8/20 0.48
▸ SMN1; SMN2 Q16637 8/20 0.48
▸ NPC1 O15118 7/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ HPGD P15428 4/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ NFKB2 Q00653 2/20 0.48
▸ RELA Q04206 2/20 0.48
▸ GAA P10253 3/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ CASP3 P42574 1/20 0.42

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
SCHEMBL23630613 0.86 MAPT (0.61) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL29859543 0.86 MAPT (0.61) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL23642859 0.81 F2RL3 (0.43) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL29859412 0.80 RAB9A (0.54) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL23630626 0.80 RAB9A (0.54) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL29859231 0.77 MAPT (0.54) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL23630624 0.77 MAPT (0.54) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL12304282 0.76 RAB9A (0.47) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL30129872 0.74 RAB9A (0.46) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL13866097 0.74 RAB9A (0.46) MAPTTP53RAB9ASMN1; SMN2NPC1

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
WO-2021142402-A1 STABLE MASS POLYMERIZABLE POLYCYCLOOLEFIN COMPOSITIONS AS 3D PRINTING MATERIALS AND A METHOD OF FABRICATION THEREOF PROMERUS, LLC (US) 2021-07-15 — — WO disclosed
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