SCHEMBL29237678

SCHEMBL29237678

Cc1c(Oc2cccc(C(=O)NN)c2)ccc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 3/20 0.43
▸ RHEB Q15382 2/20 0.41
▸ PPARD Q03181 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ BRD4 O60885 5/20 0.38
▸ BRAF P15056 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAP3K7 O43318 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ AR P10275 1/20 0.38

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
SCHEMBL30967798 1.00 SNCA (0.43) SNCARHEBPPARDKDM4EALDH1A1
SCHEMBL30967906 0.87 TNKS (0.48) RHEBPPARDBRD4
SCHEMBL29237386 0.87 TNKS (0.48) RHEBPPARDBRD4
SCHEMBL31108617 0.86 L3MBTL1 (0.44) RHEBKDM4EALDH1A1NPC1RAB9A
SCHEMBL29237722 0.82 F10 (0.56) RHEB
SCHEMBL30217325 0.82 F10 (0.56) RHEB
SCHEMBL30967902 0.77 NPC1 (0.47) KDM4EALDH1A1HDAC8NPC1RAB9A
SCHEMBL29237301 0.77 NPC1 (0.47) KDM4EALDH1A1HDAC8NPC1RAB9A
SCHEMBL31108471 0.75 RHEB (0.48) RHEBPPARDALDH1A1SMN1; SMN2LMNA
SCHEMBL29338297 0.75 KDM4E (0.38) SNCARHEBKDM4ELMNA

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
Send feedback