SCHEMBL16487522

SCHEMBL16487522

C=C1C(c2sc(-c3ccc(Cl)cc3)nc2C)C(=O)C(C)(C)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ PKM P14618 1/20 0.37
▸ XDH P47989 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL13041525 0.92 KDM4E (0.46) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL13041400 0.77 RAB9A (0.40) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL2762937 0.72 HRH3 (0.41) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL10237969 0.70 SMN1; SMN2 (0.46) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL13058537 0.70 KDM4E (0.43) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL13041556 0.69 GAA (0.37) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL13041538 0.66 TARBP2 (0.42) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL13041398 0.66 MAPT (0.38) KDM4ERAB9ASMN1; SMN2NPC1POLB
SCHEMBL13041406 0.65 NPC1 (0.36) KDM4ENPC1MAPT
SCHEMBL13041486 0.65 PPARA (0.31) KDM4EGAAALDH1A1MAPTKMT2A

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
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
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