SCHEMBL28927232

SCHEMBL28927232

CC(C)C[C@H]1COC(c2ccccn2)=N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TAAR1 Q96RJ0 4/20 0.42
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP2D6 P10635 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 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
SCHEMBL28927234 1.00 MAPK1 (0.50) MAPK1NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL29256447 1.00 MAPK1 (0.50) MAPK1NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL31037188 0.84 NPC1 (0.50) MAPK1NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL14154795 0.84 NPC1 (0.50) MAPK1NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL14821250 0.84 NPC1 (0.50) MAPK1NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL29040569 0.80 CYP1A2 (0.44) MAPK1NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL1338546 0.79 NPC1 (0.61) MAPK1NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL15842376 0.78 MAPT (0.58) NPC1RAB9ASMN1; SMN2TAAR1CYP1A2
SCHEMBL30636781 0.78 MAPT (0.58) NPC1RAB9ASMN1; SMN2TAAR1CYP1A2
SCHEMBL28927198 0.78 MAPT (0.58) NPC1RAB9ASMN1; SMN2TAAR1CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396203-B Preparation method of 2-hydroxy-indol-3-one compound 五邑大学 2025-03-25 CN disclosed
CN-116396203-A Preparation method of 2-hydroxy-indol-3-one compound 五邑大学 2023-07-07 CN disclosed
CN-115397824-A Process for preparing COT inhibitor compounds 吉利德科学公司 2022-11-25 CN disclosed