SCHEMBL28402115

SCHEMBL28402115

CC(C)(C)c1ccc(Nc2ccc(F)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALOX12 P18054 2/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
XBP1 P17861 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
GRM5 P41594 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
PDE4D Q08499 1/20 0.40
CCNK O75909 1/20 0.40
CCND3 P30281 1/20 0.40
CDK9 P50750 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
SCHEMBL18932624 0.86 DEGS1 (0.44) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL21115650 0.81 TSHR (0.47) NPC1RAB9AMAPTSMN1; SMN2GRM5
SCHEMBL29408373 0.81 MEN1 (0.51) MEN1KMT2AALOX12NPC1RAB9A
SCHEMBL28406121 0.81 MEN1 (0.51) MEN1KMT2AALOX12NPC1RAB9A
SCHEMBL28410844 0.80 CCNK (0.46) NPC1RAB9AMAPTSMN1; SMN2GRM5
SCHEMBL19489172 0.78 MAPT (0.43) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29408386 0.77 KMT2A (0.51) MEN1KMT2AALOX12RAB9AMAPT
SCHEMBL21258685 0.77 KMT2A (0.51) MEN1KMT2AALOX12RAB9AMAPT
SCHEMBL21258996 0.77 HCAR3 (0.56) MEN1KMT2AALOX12RAB9AMAPT
SCHEMBL29408378 0.77 RAB9A (0.61) MEN1KMT2AALOX12NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111235599-B Method for synthesizing tetraarylhydrazine compounds based on electrochemistry 齐鲁工业大学 2022-03-22 CN disclosed
CN-111206260-B Electrochemical synthesis method of pyrido [1,2-a ] benzimidazole compound 齐鲁工业大学 2022-03-22 CN disclosed
CN-111235599-A Method for synthesizing tetraarylhydrazine compounds based on electrochemistry 齐鲁工业大学 2020-06-05 CN disclosed
CN-111206260-A Electrochemical synthesis method of pyrido [1,2-a ] benzimidazole compound 齐鲁工业大学 2020-05-29 CN disclosed