SCHEMBL29068546

SCHEMBL29068546

COc1ccc(-c2cnc(CSc3nc(C)cc(=O)[nH]3)o2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
LMNA P02545 5/20 0.51
TSHR P16473 5/20 0.51
HPGD P15428 4/20 0.51
HTT P42858 5/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 2/20 0.48
MMP13 P45452 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL29391003 1.00 MAPT (0.58) MAPTLMNATSHRHPGDHTT
SCHEMBL31494353 0.79 SMN1; SMN2 (0.42) MAPTLMNATSHRHPGDHTT
SCHEMBL27218795 0.79 SMN1; SMN2 (0.42) MAPTLMNATSHRHPGDHTT
SCHEMBL27218802 0.79 ALDH1A1 (0.42) MAPTLMNATSHRHPGDHTT
SCHEMBL30567828 0.79 SMN1; SMN2 (0.43) MAPTLMNATSHRHPGDHTT
SCHEMBL27218831 0.75 ADORA2A (0.40) MAPTLMNATSHRHPGDHTT
SCHEMBL31494398 0.75 ADORA2A (0.40) MAPTLMNATSHRHPGDHTT
SCHEMBL22556713 0.73 MEN1 (0.46) MAPTLMNAMEN1KMT2ATP53
SCHEMBL27218643 0.72 MEN1 (0.36) MAPTLMNATSHRHPGDHTT
SCHEMBL31494377 0.72 ADORA2A (0.39) MAPTLMNATSHRHPGDHTT

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
CN-116745289-A Agonists of free fatty acid receptor 1 and their use in diseases associated with said receptor 奥洛治疗有限公司 2023-09-12 CN disclosed