SCHEMBL29141010

SCHEMBL29141010

COC(=O)c1cc(F)c(NC(=O)CBr)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.37
XDH P47989 1/20 0.37
GFER P55789 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
FUT7 Q11130 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL22400320 0.72 NOTUM (0.60) NOTUML3MBTL1LMNAKDM4EPOLB
SCHEMBL31229471 0.72 NOTUM (0.60) NOTUML3MBTL1LMNAKDM4EPOLB
SCHEMBL28363517 0.72 KDM4E (0.50) NOTUML3MBTL1LMNAKDM4EPOLB
SCHEMBL15358169 0.71 NOTUM (0.49) NOTUML3MBTL1LMNAKDM4EPOLB
SCHEMBL22833046 0.70 KDM4E (0.54) L3MBTL1LMNAKDM4EALDH1A1MAPT
SCHEMBL23826367 0.70 NOTUM (0.53) NOTUML3MBTL1LMNAKDM4EPOLB
SCHEMBL816310 0.70 NOTUM (0.57) NOTUML3MBTL1LMNAKDM4EPOLB
SCHEMBL1705136 0.70 TSHR (0.40) LMNAKDM4EPOLBGAAALDH1A1
SCHEMBL16709806 0.70 KMT2A (0.54) L3MBTL1LMNAKDM4ENFKB1NFKB2
SCHEMBL14012580 0.69 NOTUM (0.64) NOTUML3MBTL1LMNAKDM4EGAA

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
CN-117916238-A Compositions and methods for inhibiting RAS 瑟拉斯有限公司 2024-04-19 CN disclosed
CN-117157290-A Compositions and methods for inhibiting KRAS 瑟拉斯有限公司 2023-12-01 CN disclosed