SCHEMBL8966479

SCHEMBL8966479

CCC(N)c1c(N)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
KEAP1 Q14145 1/20 0.41
HPRT1 P00492 2/20 0.39
CYP2A6 P11509 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 2/20 0.37
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TLR8 Q9NR97 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL13297382 0.84 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL22202388 0.82 MEN1 (0.49) ALDH1A1HSD17B10HPGDTDP1CYP1A2
SCHEMBL6315102 0.82 CYP2A6 (0.38) ALDH1A1TSHRHSD17B10HPRT1CYP2A6
SCHEMBL19590681 0.77 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL11235332 0.76 TLR8 (0.38) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL7453593 0.73 GABBR2 (0.41) ALDH1A1TSHRHSD17B10HPGDTDP1
SCHEMBL30220315 0.72 TLR8 (0.41) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL959197 0.72 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL22710196 0.72 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL29484445 0.72 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10CYP3A4HPGD

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
EP-0375503-B1 Additives to lubricants resulting from the condensation of an alkylene polyamine onto a copolymer having contiguous carboxylic groups ELF AQUITAINE (FR) 1996-02-28 EP claimed