SCHEMBL7876994

SCHEMBL7876994

CCCCc1cc(-c2ccccc2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.44
SKP2 Q13309 1/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
IKBKB O14920 1/20 0.41
HSD11B1 P28845 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL5377476 0.91 SKP2 (0.48) TLR8SKP2HSD17B10KDM4EMEN1
Biphenyl SCHEMBL27834933 0.88 TLR8 (0.43) TLR8SKP2HSD17B10KDM4EMEN1
SCHEMBL8076064 0.88 SKP2 (0.43) TLR8SKP2HSD17B10KDM4EMEN1
SCHEMBL10424535 0.85 TLR8 (0.44) TLR8SKP2HSD17B10KDM4EMEN1
SCHEMBL360103 0.83 ALDH1A1 (0.40) TLR8SKP2HSD17B10KDM4EMEN1
SCHEMBL8369434 0.82 IKBKB (0.50) HSD17B10KDM4EMEN1USP2ALDH1A1
SCHEMBL11117161 0.81 MEN1 (0.42) TLR8SKP2HSD17B10KDM4EMEN1
SCHEMBL22069113 0.81 HSD11B1 (0.45) TLR8KDM4EGAAMAPTHPGD
SCHEMBL27730914 0.81 PSMB5 (0.42) TLR8MEN1LMNAGAAMAPT
SCHEMBL7755566 0.80 HTR2A (0.40) TLR8HSD11B1TAAR1

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-6323370-B1 Catalytic process JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2001-11-27 US disclosed