SCHEMBL29836705

SCHEMBL29836705

CC(C)(C)CNC(=O)c1cccc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
TP53BP1 Q12888 1/20 0.63
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HTT P42858 1/20 0.54
HPGD P15428 2/20 0.53
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
CNR2 P34972 2/20 0.49
CNR1 P21554 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49

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
SCHEMBL28689610 0.84 L3MBTL1 (0.62) L3MBTL1TP53BP1MEN1KMT2ASMN1; SMN2
SCHEMBL30618513 0.83 L3MBTL1 (0.75) L3MBTL1TP53BP1MEN1KMT2ASMN1; SMN2
SCHEMBL5426936 0.83 L3MBTL1 (0.75) L3MBTL1TP53BP1MEN1KMT2ASMN1; SMN2
SCHEMBL19818456 0.83 KAT6A (0.50) L3MBTL1TP53BP1MEN1KMT2ASMN1; SMN2
SCHEMBL3655101 0.82 KDM4E (0.59) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL21020967 0.82 HDAC8 (0.59) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL26217054 0.81 TP53BP1 (0.72) L3MBTL1TP53BP1MEN1KMT2ASMN1; SMN2
SCHEMBL20206540 0.81 ACHE (0.55) TP53BP1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL18175984 0.81 KDM4E (0.54) L3MBTL1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL14234253 0.80 KAT6A (0.52) L3MBTL1TP53BP1MEN1KMT2ASMN1; SMN2

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-118480001-A C-Kit (V559D)/PDGFR beta double-target allosteric inhibitor and preparation method, pharmaceutical composition and application thereof 贵州省天然产物研究中心 2024-08-13 CN disclosed
WO-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 WO disclosed