SCHEMBL11614830

SCHEMBL11614830

CSc1cc(=O)n(-c2ccccc2)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
LMNA P02545 2/20 0.51
HSD17B10 Q99714 2/20 0.48
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 2/20 0.45
KDM4C Q9H3R0 1/20 0.45
GAA P10253 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
NTRK1 P04629 5/20 0.44
NTRK2 Q16620 5/20 0.44
IGF1R P08069 4/20 0.44
FGFR1 P11362 4/20 0.44
NTRK3 Q16288 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL9652503 0.77 SMN1; SMN2 (0.70) ALDH1A1LMNAHSD17B10NPSR1TDP1
SCHEMBL1945403 0.74 ALDH1A1 (0.55) ALDH1A1LMNAHSD17B10NPSR1TDP1
SCHEMBL3472829 0.74 ALDH1A1 (0.55) ALDH1A1LMNAHSD17B10NPSR1TDP1
SCHEMBL13143119 0.74 ALDH1A1 (0.55) ALDH1A1LMNAHSD17B10NPSR1TDP1
SCHEMBL9375285 0.72 ERCC1 (0.62) ALDH1A1LMNAHSD17B10NPSR1TDP1
SCHEMBL14820057 0.72 KMT2A (0.51) ALDH1A1HSD17B10TDP1HPGDSMN1; SMN2
SCHEMBL5198556 0.72 NTRK1 (0.72) ALDH1A1LMNAHSD17B10NPSR1GAA
SCHEMBL9414241 0.71 ALDH1A1 (0.49) ALDH1A1LMNAHSD17B10NPSR1TDP1
SCHEMBL3473032 0.71 ALDH1A1 (0.49) ALDH1A1LMNAHSD17B10NPSR1TDP1
SCHEMBL14819969 0.71 YTHDF2 (0.47) ALDH1A1LMNAHSD17B10HPGDKDM4C

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-4105627-A MERCAPTOHETEROCYCLIC RESIN STABILIZERS ARGUS CHEMICAL CORPORATION (US) 1978-08-08 US disclosed