SCHEMBL10480591

SCHEMBL10480591

CSc1ccccc1Oc1ccc(N)nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.47
TSHR P16473 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
OXTR P30559 1/20 0.40
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
POLB P06746 1/20 0.35
AR P10275 1/20 0.35
HSD17B10 Q99714 1/20 0.33
KEAP1 Q14145 1/20 0.32
MAPT P10636 2/20 0.31
MAP4K4 O95819 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 3/20 0.31

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
SCHEMBL10480597 0.78 BCAT2 (0.58) BCAT2SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL4027665 0.78 MEN1 (0.79) BCAT2SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL10480572 0.75 BCAT2 (0.58) BCAT2SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL2774997 0.74 SLC6A2 (0.49) SMN1; SMN2TSHRMEN1KMT2ARAB9A
SCHEMBL28425403 0.72 BCAT2 (0.59) BCAT2SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL1339580 0.72 ALDH1A1 (0.48) SMN1; SMN2TSHRMEN1KMT2ASLC6A2
SCHEMBL25344922 0.71 BCAT2 (0.53) BCAT2SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL4028874 0.71 BCAT2 (0.53) BCAT2SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL4020558 0.71 BCAT2 (0.53) BCAT2SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL30661081 0.70 BCAT2 (1.00) BCAT2SMN1; SMN2TSHRMEN1KMT2A

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-1989001478-A1 ARYLOXY- AND ARALKYLTHIO-IMIDAZO[1,2-b]PYRIDAZINES THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1989-02-23 WO disclosed