SCHEMBL24818763

SCHEMBL24818763

COC(=O)c1ccc2oc(-c3cc(-c4ccc(F)cc4-c4nncn4C)cc(C4CC4)n3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ HDAC6 Q9UBN7 5/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HDAC3 O15379 3/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC1 Q13547 2/20 0.36

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
SCHEMBL30152867 1.00 MAPT (0.38) MAPTSMN1; SMN2RAB9ATP53ALOX5AP
SCHEMBL30792132 1.00 MAPT (0.38) MAPTSMN1; SMN2RAB9ATP53ALOX5AP
SCHEMBL30792049 0.91 AGPAT2 (0.38) MAPTSMN1; SMN2RAB9ATP53HDAC6
SCHEMBL24820737 0.91 AGPAT2 (0.38) MAPTSMN1; SMN2RAB9ATP53HDAC6
SCHEMBL30792199 0.89 CBLB (0.41) MAPTSMN1; SMN2RAB9ATP53HDAC6
SCHEMBL24820567 0.89 CBLB (0.41) MAPTSMN1; SMN2RAB9ATP53HDAC6
SCHEMBL30153017 0.89 CBLB (0.41) MAPTSMN1; SMN2RAB9ATP53HDAC6
SCHEMBL24820121 0.89 HPGD (0.33) MAPTSMN1; SMN2RAB9ATP53KDM4E
SCHEMBL24820582 0.89 MAP3K5 (0.34) MAPTSMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL30152670 0.89 HPGD (0.33) MAPTSMN1; SMN2RAB9ATP53KDM4E

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-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
Send feedback