SCHEMBL24879175

SCHEMBL24879175

CC(=O)Nc1cc(C)c(-c2ccccc2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.57
NAPRT Q6XQN6 1/20 0.57
NQO2 P16083 2/20 0.51
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.50
TNIK Q9UKE5 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 1/20 0.48
ADORA3 P0DMS8 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
SCHEMBL29131166 0.81 HSD17B10 (0.52) HSD17B10NAPRTNQO2ALDH1A1KMT2A
SCHEMBL7188387 0.79 MAPT (0.57) HSD17B10NAPRTNQO2ALDH1A1KMT2A
SCHEMBL29131182 0.79 HSD17B10 (0.57) HSD17B10NAPRTNQO2ALDH1A1KMT2A
SCHEMBL5433837 0.78 HSD17B10 (0.62) HSD17B10NQO2ALDH1A1KMT2AMEN1
SCHEMBL11622379 0.77 KMT2A (0.57) HSD17B10NAPRTNQO2ALDH1A1KMT2A
Biphenyl SCHEMBL9009636 0.77 NAPRT (0.86) HSD17B10NAPRTNQO2ALDH1A1KMT2A
SCHEMBL29320926 0.77 NPSR1 (0.43) HSD17B10ALDH1A1KMT2AMEN1MAPT
SCHEMBL3030037 0.76 LMNA (0.60) HSD17B10NAPRTALDH1A1KMT2AMEN1
SCHEMBL29131177 0.76 KMT2A (0.57) HSD17B10NAPRTNQO2ALDH1A1KMT2A
Acetanilide SCHEMBL6693944 0.76 HSD17B10 (0.76) HSD17B10NAPRTNQO2ALDH1A1KMT2A

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-2023280294-A1 TARGET AND SMALL MOLECULE COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES OR CENTRAL NERVOUS SYSTEM INJURY 北京干细胞与再生医学研究院 2023-01-12 WO disclosed