SCHEMBL30786204

SCHEMBL30786204

CC(C)(C)OC(=O)NCc1cc(Sc2ccccc2C(=O)O)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.41
KDM4A O75164 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
ACACB O00763 2/20 0.39
ACACA Q13085 2/20 0.39
KCNA5 P22460 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PRNP P04156 1/20 0.36
RAB9A P51151 1/20 0.36
SORT1 Q99523 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLS O94925 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
IDO1 P14902 1/20 0.36
NAMPT P43490 1/20 0.35
HDAC1 Q13547 1/20 0.35
BRD9 Q9H8M2 1/20 0.35

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
SCHEMBL30786234 0.91 KMT2A (0.43) KDM4ACA2CA4ACACBACACA
SCHEMBL30097021 0.76 ACACB (0.46) KDM4ACA2ACACBACACAKDM4E
SCHEMBL508770 0.76 ACACB (0.46) KDM4ACA2ACACBACACAKDM4E
SCHEMBL23705856 0.75 GLS (0.47) KDM4AACACBACACAGLSIDO1
SCHEMBL29085960 0.74 L3MBTL1 (0.44) KDM4ACA2CA4ACACBACACA
SCHEMBL23706002 0.73 KDM4A (0.44) KDM4ACA2ACACBACACAKDM4E
SCHEMBL23706109 0.73 HDAC1 (0.48) KDM4AACACBACACARAB9AALDH1A1
SCHEMBL7229830 0.73 HDAC1 (0.47) KDM4AACACBACACARAB9ANAMPT
SCHEMBL16020311 0.73 KDM4A (0.44) KDM4ACA2CA4ACACBACACA
SCHEMBL4678395 0.73 SMN1; SMN2 (0.61) KDM4ERAB9AALDH1A1

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-2024032584-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-02-15 WO disclosed