SCHEMBL10889271

SCHEMBL10889271

CC(=O)Nc1cccc(NCC(O)COc2ccccc2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.77
SMN1; SMN2 Q16637 3/20 0.62
HTT P42858 2/20 0.62
ADRB1 P08588 6/20 0.55
ADRB3 P13945 6/20 0.55
ADRB2 P07550 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP2D6 P10635 2/20 0.55
OPRK1 P41145 1/20 0.55
CYP1A2 P05177 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 3/20 0.52
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL11246086 0.90 MAPT (0.63) MAPTADRB1ADRB3ADRB2MEN1
SCHEMBL9620020 0.82 MAPT (0.69) MAPTSMN1; SMN2HTTADRB1ADRB3
SCHEMBL11465129 0.82 MAPT (0.68) MAPTSMN1; SMN2HTTADRB1ADRB3
SCHEMBL6480038 0.81 MAPT (0.63) MAPTSMN1; SMN2HTTADRB1ADRB3
SCHEMBL11814077 0.81 MAPT (0.67) MAPTSMN1; SMN2HTTADRB1ADRB3
SCHEMBL11571275 0.81 MAPT (0.67) MAPTSMN1; SMN2HTTADRB1ADRB3
SCHEMBL11448213 0.81 MAPT (0.93) MAPTSMN1; SMN2HTTADRB1ADRB3
SCHEMBL9661011 0.80 MAPT (0.78) MAPTSMN1; SMN2HTTADRB1ADRB3
SCHEMBL11246090 0.79 MAPT (0.50) MAPTSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL6630532 0.77 MAPT (0.64) MAPTSMN1; SMN2HTTADRB1ADRB3

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
US-4582897-A 2-AZO-4-SULFO-4-METHYLDIPHENYL SULFONE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1986-04-15 US disclosed
EP-0042357-B1 AZO DYES, THEIR PREPARATION AND USE CIBA-GEIGY AG (CH) 1984-06-06 EP disclosed