SCHEMBL8958973

SCHEMBL8958973

COC=C(C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2F)ncn1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GCK P35557 1/20 0.38
RAF1 P04049 3/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDR P35968 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 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
SCHEMBL203515 1.00 MAPK8 (0.39) MAPK8KDM4EMEN1KMT2AGCK
SCHEMBL29359104 1.00 MAPK8 (0.39) MAPK8KDM4EMEN1KMT2AGCK
SCHEMBL16561719 0.94 MEN1 (0.41) MAPK8MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL29358789 0.94 GCK (0.36) KDM4EMEN1KMT2AGCKNPC1
SCHEMBL203206 0.94 GCK (0.36) KDM4EMEN1KMT2AGCKNPC1
SCHEMBL9123472 0.91 MEN1 (0.38) MAPK8KDM4EMEN1KMT2ARAF1
SCHEMBL9123478 0.91 MEN1 (0.38) MAPK8KDM4EMEN1KMT2ARAF1
SCHEMBL9123484 0.91 MEN1 (0.38) MAPK8KDM4EMEN1KMT2ARAF1
SCHEMBL2852231 0.90 RAF1 (0.37) MEN1KMT2AGCKRAF1NPC1
SCHEMBL9121807 0.90 HTT (0.44) MAPK8MEN1KMT2ANPC1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690894-A1 PAINTS CONTAINING n-ALKYL-N-AZOLS AS PRESERVATIVES BAYER AG (DE) 1996-01-10 EP disclosed
WO-1994021734-A1 PAINTS CONTAINING n-ALKYL-N-AZOLS AS PRESERVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1994-09-29 WO disclosed