SCHEMBL24801633

SCHEMBL24801633

COC(=O)C1(C(F)(F)F)CC(Br)=CO1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PDK2 Q15119 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SOS1 Q07889 1/20 0.33
NOTUM Q6P988 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL24802627 0.76 NPC1 (0.31) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL6448270 0.71 NPC1 (0.33) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL6448268 0.71 NPC1 (0.33) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL24801634 0.70 MEN1 (0.33) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4453974 0.65 PPARA (0.39) SMN1; SMN2MAPTHSD17B10
SCHEMBL15918185 0.64 NPC1 (0.33) NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL29220415 0.63 MEN1 (0.32) MEN1KMT2A
SCHEMBL20753221 0.63 CA1 (0.44) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL24802589 0.61 BRD4 (0.37) SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL15917967 0.61 NPSR1 (0.34) MEN1KMT2A

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
WO-2022268563-A1 HERBICIDAL ARYLCYCLOPENTENE CARBOXAMIDES BASF SE (DE) 2022-12-29 WO disclosed
WO-2022268564-A1 HERBICIDAL ARYLDIHYDROFURANE CARBOXYLATES BASF SE (DE) 2022-12-29 WO disclosed