SCHEMBL11693293

SCHEMBL11693293

CCCCCCCc1c(Nc2ccccc2)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CDC25B P30305 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 2/20 0.46
XBP1 P17861 1/20 0.46
KCNH3 Q9ULD8 1/20 0.44
NCEH1 Q6PIU2 1/20 0.43
TLR8 Q9NR97 4/20 0.42
KDM4E B2RXH2 4/20 0.39
GAA P10253 4/20 0.39

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
SCHEMBL8391802 1.00 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDTP53CYP3A4
SCHEMBL11692052 1.00 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDTP53CYP3A4
SCHEMBL2827346 0.91 HTR2A (0.42) ALDH1A1HSD17B10TP53CYP3A4LMNA
SCHEMBL27937768 0.84 NCEH1 (0.46) ALDH1A1HSD17B10HPGDMAPTHTT
SCHEMBL27919204 0.84 NCEH1 (0.46) ALDH1A1HSD17B10HPGDMAPTHTT
SCHEMBL11691504 0.83 NCEH1 (0.41) ALDH1A1HSD17B10HPGDCDC25BMAPT
SCHEMBL11692525 0.82 NCEH1 (0.43) ALDH1A1HSD17B10HPGDCDC25BMAPT
SCHEMBL14542760 0.82 HSD17B10 (0.55) ALDH1A1HSD17B10HPGDTP53CYP3A4
SCHEMBL11695711 0.81 IDO1 (0.40) ALDH1A1CYP3A4TSHRCDC25BMAPT
Dodecane SCHEMBL28043302 0.80 HPGD (0.73) ALDH1A1HSD17B10HPGDTP53CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4049393-A DISAZO DYE DISSOLVED IN GASOLINE, KEROSENE, FUEL OILS, LUBRICANTS MORTON-NORWICH PRODUCTS, INC. (US) 1977-09-20 US disclosed
US-4009008-A DISAZO DYE MORTON-NORWICH PRODUCTS, INC. (US) 1977-02-22 US disclosed