SCHEMBL31252243

SCHEMBL31252243

CN1c2cc(N)ccc2Cc2c(Cl)cc(N)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KDM4E B2RXH2 3/20 0.46
RAD52 P43351 1/20 0.46
ALDH1A1 P00352 7/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 2/20 0.37
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MEN1 O00255 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL28709949 1.00 MAPT (0.46) MAPTKDM4ERAD52ALDH1A1POLB
Hydrochloric Acid SCHEMBL27970717 0.98 MAPT (0.49) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL3360819 0.81 MAPT (0.44) MAPTKDM4ERAD52ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL27970719 0.79 MAPT (0.44) MAPTKDM4ERAD52ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL28709952 0.79 MAPT (0.44) MAPTKDM4ERAD52ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL29386046 0.79 MAPT (0.44) MAPTKDM4ERAD52ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL31174158 0.79 MAPT (0.44) MAPTKDM4ERAD52ALDH1A1SMN1; SMN2
SCHEMBL17423265 0.73 ADRA2A (0.51) MAPTKDM4ERAD52ALDH1A1HTT
SCHEMBL24135088 0.71 MAPT (0.38) MAPTKDM4ERAD52ALDH1A1SMN1; SMN2
SCHEMBL12991998 0.71 ATAD2 (0.41) MAPTKDM4ERAD52ALDH1A1GAA

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-119023830-A Detection method for detecting 16 novel veterinary residues in eggs based on high performance liquid chromatography mass spectrometry 成都海关技术中心 2024-11-26 CN claimed
CN-119555825-A Method for rapidly determining 17 novel veterinary drug compounds in animal-derived food by combining solid phase extraction with HPLC-MS/MS method 成都海关技术中心 2025-03-04 CN disclosed
CN-119125346-A Method for determining 19 novel veterinary drug residues in animal-derived food based on modified QuEChERS-HPLC-MS/MS method 成都海关技术中心 2024-12-13 CN disclosed
CN-119023830-A Detection method for detecting 16 novel veterinary residues in eggs based on high performance liquid chromatography mass spectrometry 成都海关技术中心 2024-11-26 CN disclosed