SCHEMBL6241382

SCHEMBL6241382

CC(=O)Oc1ccc(CSc2n[c]n[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2E1 P05181 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL25921416 0.73 MAPT (0.46) LMNASMN1; SMN2ALDH1A1MMP13POLB
SCHEMBL25921491 0.73 LMNA (0.41) LMNARAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL6031811 0.71 LMNA (0.55) LMNARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6244192 0.71 LMNA (0.38) LMNARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6243612 0.70 MAPT (0.41) LMNARAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL14139588 0.70 LMNA (0.53) LMNARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL14611612 0.69 LMNA (0.52) LMNARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL19514710 0.69 LMNA (0.52) LMNARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL26084833 0.69 LMNA (0.52) LMNARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL68678 0.68 LMNA (0.59) LMNARAB9ASMN1; SMN2KDM4ECYP3A4

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-2005019207-A1 FUNGICIDAL PYRIMIDINE DERIVATIVES NIPPON SODA CO. LTD. (JP) 2005-03-03 — — WO disclosed
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