SCHEMBL29986948

SCHEMBL29986948

O=C(CSc1ccccn1)N1Cc2ccc(N3CCOCC3)cc2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.61
ALDH1A1 P00352 7/20 0.60
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 2/20 0.58
HPGD P15428 2/20 0.58
GAA P10253 1/20 0.58
AOC3 Q16853 1/20 0.50
POLB P06746 2/20 0.48
ABHD6 Q9BV23 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL24815698 1.00 HSD17B10 (0.61) HSD17B10ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL24815668 0.81 HSD17B10 (0.64) HSD17B10ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL29986714 0.81 HSD17B10 (0.64) HSD17B10ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL29987539 0.80 HSD17B10 (0.55) HSD17B10ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL24814405 0.80 HSD17B10 (0.55) HSD17B10ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL24815714 0.79 POLB (0.55) HSD17B10ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL29986494 0.79 POLB (0.55) HSD17B10ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL24814730 0.79 HSD17B10 (0.54) HSD17B10ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL29987597 0.79 HSD17B10 (0.54) HSD17B10ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL26845899 0.79 HSD17B10 (0.54) HSD17B10ALDH1A1MAPTSMN1; SMN2LMNA

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
WO-2022251343-A2 CDGSH IRON SULFUR DOMAIN 2 ACTIVATORS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2022-12-01 WO disclosed