SCHEMBL25937859

SCHEMBL25937859

CCc1cc(NC2CCCCC2)ccc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
CNR2 P34972 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
EPHX1 P07099 1/20 0.40
NFKB1 P19838 1/20 0.40
EPHX2 P34913 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL25937737 0.82 TAS1R3 (0.41) PTGS1PTGS2MAPTSMN1; SMN2KDM4E
SCHEMBL25938708 0.77 IKZF2 (0.42) PTGS1PTGS2KMT2A
SCHEMBL18417805 0.76 TDP1 (0.38) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL25937646 0.75 IP6K1 (0.44) PTGS1PTGS2CNR2NPC1RAB9A
SCHEMBL20220042 0.75 GFER (0.42) PTGS1PTGS2NPC1RAB9AMAPT
SCHEMBL8167269 0.75 ALOX15 (0.44) PTGS1PTGS2CNR2NPC1RAB9A
SCHEMBL2963191 0.74 PTGS1 (0.43) PTGS1PTGS2CNR2NPC1RAB9A
SCHEMBL25938366 0.74 NPC1 (0.41) PTGS1PTGS2CNR2NPC1RAB9A
SCHEMBL23933923 0.74 ALDH1A1 (0.36) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL17048401 0.74 PTGS1 (0.55) PTGS1PTGS2CNR2NPC1RAB9A

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
EP-3820574-B1 3-(5-AMINO-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF IKAROS FAMILY ZINC FINGER 2 (IKZF2)-DEPENDENT DISEASES NOVARTIS AG (CH) 2023-08-09 EP disclosed