SCHEMBL24671578

SCHEMBL24671578

CC(C)(C)OC(=O)N1CC=C(c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 3/20 0.47
GRM5 P41594 4/20 0.44
GRM1 Q13255 4/20 0.44
JAK1 P23458 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
SCN9A Q15858 1/20 0.42
CDK9 P50750 1/20 0.42
CYP2C19 P33261 1/20 0.42
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
PDK2 Q15119 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
KIT P10721 1/20 0.41

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
SCHEMBL29803476 0.89 NAMPT (0.49) WNT3AGRM5GRM1JAK1SCN9A
SCHEMBL24671474 0.88 WNT3A (0.45) WNT3ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL24671394 0.85 WNT3A (0.36) WNT3AJAK1SCN9ACDK9
SCHEMBL24670950 0.85 WNT3A (0.36) WNT3AJAK1SCN9ACDK9
SCHEMBL29803582 0.85 GRM1 (0.47) WNT3AGRM5GRM1JAK1SCN9A
SCHEMBL24671417 0.85 GRM1 (0.47) WNT3AGRM5GRM1JAK1SCN9A
SCHEMBL24671581 0.85 JAK1 (0.45) GRM5GRM1JAK1SCN9ACDK9
SCHEMBL24671480 0.84 GRM1 (0.49) WNT3AGRM5GRM1JAK1SCN9A
SCHEMBL29803325 0.84 GRM1 (0.49) WNT3AGRM5GRM1JAK1SCN9A
SCHEMBL24671395 0.84 WNT3A (0.41) WNT3ACDK9

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-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed