SCHEMBL28920139

SCHEMBL28920139

CC(C)(C)OC(=O)Nc1cc(Br)c(C(F)(F)F)cc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.40
NOTUM Q6P988 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.35
CFTR P13569 1/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
EPHX1 P07099 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
CACNA1H O95180 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
SOS1 Q07889 1/20 0.34
XBP1 P17861 1/20 0.34

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
SCHEMBL29395253 0.83 AAK1 (0.46) LMNAPOLBRXFP1SMN1; SMN2HTT
SCHEMBL25159676 0.83 AAK1 (0.46) LMNAPOLBRXFP1SMN1; SMN2HTT
SCHEMBL19502094 0.82 LMNA (0.44) LMNAPOLBRXFP1NOTUMSMN1; SMN2
SCHEMBL879697 0.82 NOTUM (0.46) LMNANOTUMSMN1; SMN2CFTRMAPT
SCHEMBL30369522 0.81 CA12 (0.38) RXFP1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL27877831 0.76 LMNA (0.43) LMNAPOLBRXFP1NOTUMSMN1; SMN2
SCHEMBL25894537 0.75 NOTUM (0.51) LMNAPOLBRXFP1NOTUMSMN1; SMN2
SCHEMBL25894469 0.75 MAPT (0.58) LMNAPOLBRXFP1SMN1; SMN2MAPT
SCHEMBL24427638 0.75 LMNA (0.51) LMNAPOLBRXFP1SMN1; SMN2MAPT
SCHEMBL16801310 0.74 AAK1 (0.46) RXFP1SMN1; SMN2NPC1RAB9AAAK1

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
CN-115490709-A KRASG12D inhibitor and application thereof in medicine 四川海思科制药有限公司 2022-12-20 CN disclosed