SCHEMBL21390859

SCHEMBL21390859

CC(=O)N(C)c1ccc(-c2ccccc2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.44
FSCN1 Q16658 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ACLY P53396 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HDAC1 Q13547 2/20 0.41
APOBEC3A P31941 1/20 0.41
GFER P55789 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
SLC1A3 P43003 1/20 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
SCHEMBL8420682 0.91 FSCN1 (0.50) TSPOFSCN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL14134495 0.78 TAAR1 (0.41) MAPTKDM4EALDH1A1HSD17B1HSD17B2
SCHEMBL7427649 0.77 CRHBP (0.50) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL13043265 0.77 FSCN1 (0.50) TSPOFSCN1MAPTSMN1; SMN2KDM4E
SCHEMBL29674730 0.76 TSPO (0.53) TSPOFSCN1SMN1; SMN2ALDH1A1HSD17B1
SCHEMBL13647021 0.76 HSD17B1 (0.41) MAPTKDM4EALDH1A1HSD17B1HSD17B2
SCHEMBL5042970 0.76 TSPO (0.53) TSPOFSCN1SMN1; SMN2ALDH1A1HSD17B1
SCHEMBL1177869 0.74 ALDH1A1 (0.53) MAPTSMN1; SMN2KDM4EALDH1A1USP2
SCHEMBL21396203 0.73 SLC6A2 (0.41) SMN1; SMN2HSD17B1HSD17B2PPARGPPARA
SCHEMBL27863063 0.73 AKR1C2 (0.46) TSPOFSCN1ACLYALDH1A1HNF4A

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-2019179909-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-09-26 WO disclosed