SCHEMBL22843940

SCHEMBL22843940

CSC(=O)Nc1ccc(C(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.59
▸ SMN1; SMN2 Q16637 7/20 0.59
▸ NPC1 O15118 6/20 0.59
▸ RAB9A P51151 5/20 0.58
▸ TAAR1 Q96RJ0 1/20 0.58
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ HTT P42858 1/20 0.56
▸ NLRP1 Q9C000 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPK1 P28482 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ POLB P06746 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MCL1 Q07820 1/20 0.50

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
SCHEMBL3633396 0.80 NPC1 (0.84) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL474757 0.80 ALDH1A1 (0.70) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL27680031 0.80 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL24512443 0.80 PLK1 (0.58) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL3825140 0.78 MAPT (0.68) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL6459176 0.78 NPC1 (0.69) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL17807659 0.77 MAPT (0.71) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL10984145 0.77 ALDH1A1 (0.66) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL6358702 0.77 MAPT (0.60) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL13838252 0.77 MAPT (0.60) MAPTSMN1; SMN2NPC1RAB9ATAAR1

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-2020257998-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2020-12-30 — — WO disclosed
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