SCHEMBL8529101

SCHEMBL8529101

CC(=O)Nc1ccc(-c2[c]ccc(C)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 6/20 0.46
MAPT P10636 5/20 0.46
HPGD P15428 5/20 0.46
RXFP1 Q9HBX9 2/20 0.46
CA12 O43570 1/20 0.44
BRD4 O60885 1/20 0.44
NR1I2 O75469 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MB P02144 1/20 0.44
CYP1A1 P04798 1/20 0.44
CA3 P07451 1/20 0.44

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
SCHEMBL8528282 0.87 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1HTTTDP1MEN1
SCHEMBL15819639 0.83 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1HTTTDP1MEN1
SCHEMBL15819518 0.83 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1HTTTDP1MEN1
SCHEMBL8531553 0.81 MTNR1A (0.52) SMN1; SMN2L3MBTL1HTTMEN1KMT2A
SCHEMBL15819513 0.80 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1HTTTDP1MEN1
SCHEMBL8089868 0.79 MAPT (0.44) SMN1; SMN2L3MBTL1TDP1KMT2AALDH1A1
SCHEMBL14808495 0.79 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1HTTTDP1MEN1
SCHEMBL6606671 0.78 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1HTTTDP1MEN1
SCHEMBL102139 0.75 TDP1 (0.36) SMN1; SMN2HTTTDP1MEN1KMT2A
SCHEMBL3547261 0.74 ACHE (0.41) MEN1KMT2ARAB9ANPC1

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-5749925-A Dyeing or printing process with new and known cationic 4,5-dihydro-iH-1,2,3-triazolium compounds as dyestuffs and new cationic 4,5-dihydro-1H-1,2,3-triazolium compounds BAYER AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed