SCHEMBL11272042

SCHEMBL11272042

CCOc1ccc(Oc2cc(C(C#N)OC(=O)C(CC=C(Br)Br)C(C)C)c3ccccc3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.38
LMNA P02545 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
TP53 P04637 8/20 0.36
RXFP1 Q9HBX9 2/20 0.35
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
CTNNB1 P35222 1/20 0.34
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33

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
SCHEMBL11267662 0.78 PLA2G10 (0.35) NPC1LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL11272038 0.78 NPC1 (0.38) NPC1LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL11277912 0.77 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL11273016 0.75 ALDH1A1 (0.36) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11279118 0.74 SCN9A (0.33) LMNAALDH1A1HPGDTP53MAPK1
SCHEMBL11266258 0.73 P2RX3 (0.35)
SCHEMBL11267667 0.73 MEN1 (0.33) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL11283401 0.71 LMNA (0.35) NPC1LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL11274889 0.71 L3MBTL1 (0.34) LMNASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL11270361 0.71 CARM1 (0.32) KDM4EALDH1A1HPGDKMT2A

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-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed