SCHEMBL14001007

SCHEMBL14001007

CCc1nc2c(ccc3ccccc32)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.48
TLR7 Q9NYK1 2/20 0.48
AKR1B1 P15121 4/20 0.46
XIAP P98170 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 2/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 5/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL9046562 0.83 AKR1B1 (0.46) AKR1B1XIAPMEN1KMT2APOLB
SCHEMBL8956490 0.83 AKR1B1 (0.46) TLR8TLR7AKR1B1XIAPMEN1
SCHEMBL27401551 0.80 AKR1B1 (0.44) TLR8TLR7AKR1B1XIAPMEN1
SCHEMBL27705376 0.79 AKR1B1 (0.46) AKR1B1XIAPMEN1KMT2APOLB
SCHEMBL18548999 0.79 AKR1B1 (0.44) AKR1B1XIAPMEN1KMT2APOLB
SCHEMBL11336662 0.77 AKR1B1 (0.48) AKR1B1XIAPMEN1KMT2APOLB
SCHEMBL2170681 0.77 RAB9A (0.53) TLR8TLR7XIAPMEN1KMT2A
SCHEMBL29843187 0.77 RAB9A (0.53) TLR8TLR7XIAPMEN1KMT2A
SCHEMBL4139521 0.75 RAB9A (0.51) TLR8TLR7XIAPMEN1KMT2A
SCHEMBL11223737 0.74 AKR1B1 (0.43) AKR1B1XIAPMEN1KMT2APOLB

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-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed