SCHEMBL31055397

SCHEMBL31055397

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.72
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
TP53BP1 Q12888 1/20 0.60
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 6/20 0.56
KMT2A Q03164 3/20 0.55
GAA P10253 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL12760632 1.00 L3MBTL1 (0.72) L3MBTL1NPC1RAB9ATP53BP1LMNA
SCHEMBL31055430 0.84 KMT2A (0.78) L3MBTL1NPC1RAB9ATP53BP1LMNA
SCHEMBL1928397 0.84 L3MBTL1 (1.00) L3MBTL1NPC1RAB9ATP53BP1LMNA
SCHEMBL15676734 0.84 SMN1; SMN2 (0.55) L3MBTL1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL26212484 0.83 SMN1; SMN2 (0.57) L3MBTL1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL26733447 0.83 SMN1; SMN2 (0.61) L3MBTL1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL12443609 0.83 NPC1 (0.62) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL1921045 0.82 SMN1; SMN2 (0.56) L3MBTL1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL18193849 0.82 GAA (0.57) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL12443610 0.82 SMN1; SMN2 (0.62) NPC1RAB9ALMNASMN1; SMN2KMT2A

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
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