SCHEMBL9709565

SCHEMBL9709565

CCc1cc(NC(=O)OC(C)(C)C)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 2/20 0.52
GAA P10253 4/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
TOP2A P11388 1/20 0.47
TOP2B Q02880 1/20 0.47
BRD9 Q9H8M2 1/20 0.44
KDM4E B2RXH2 6/20 0.44
GLA P06280 4/20 0.44
POLB P06746 1/20 0.44
ACACB O00763 2/20 0.43
ACACA Q13085 1/20 0.43
GALR3 O60755 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
ACSS2 Q9NR19 1/20 0.43
PKM P14618 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL9709721 0.90 KDM4E (0.54) MEN1KMT2AHTTGAARAB9A
SCHEMBL3924808 0.90 MEN1 (0.52) MEN1KMT2AHTTGAARAB9A
SCHEMBL28499306 0.84 HTT (0.55) MEN1KMT2AHTTGAARAB9A
SCHEMBL3924829 0.83 HTT (0.75) MEN1KMT2AHTTGAARAB9A
SCHEMBL27299051 0.81 KMT2A (0.49) MEN1KMT2AHTTGAARAB9A
SCHEMBL9709865 0.81 ALDH1A1 (0.51) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL27837493 0.80 MEN1 (0.52) MEN1KMT2AHTTGAARAB9A
SCHEMBL15919362 0.76 ACP1 (0.56) MEN1KMT2AHTTGAARAB9A
SCHEMBL13742891 0.76 GAA (0.74) MEN1KMT2AHTTGAARAB9A
SCHEMBL17981164 0.75 PTPN1 (0.56) MEN1KMT2AHTTGAARAB9A

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-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed