SCHEMBL28053897

SCHEMBL28053897

N#Cc1cccc2nnnnc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
TSHR P16473 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MAP2K1 Q02750 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
NR1H2 P55055 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
MCL1 Q07820 1/20 0.31
POLB P06746 1/20 0.31
DYRK1A Q13627 1/20 0.30
TRPA1 O75762 2/20 0.30

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
SCHEMBL4778217 0.73 PDPK1 (0.47) GRM2TSHRALDH1A1KDM4EHTT
SCHEMBL1998596 0.71 ALDH1A1 (0.50) TSHRALDH1A1KDM4EHTTGAA
SCHEMBL29722397 0.71 MAPT (0.48) GRM2TSHRALDH1A1KDM4EHTT
SCHEMBL1126888 0.71 MAPT (0.48) GRM2TSHRALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL29722349 0.69 MAPT (0.47) GRM2TSHRALDH1A1KDM4EHTT
SCHEMBL1172605 0.69 MAPT (0.52) ALDH1A1KDM4ELMNASMN1; SMN2HIF1A
SCHEMBL1172890 0.69 KMT2A (0.42) TSHRALDH1A1KDM4EHTTGAA
SCHEMBL27859418 0.69 KEAP1 (0.47) GRM2TSHRALDH1A1KDM4EHTT
SCHEMBL25193602 0.68 TDP1 (0.46) GRM2ALDH1A1KDM4EHTTGAA
SCHEMBL10694615 0.68 ACHE (0.42) GRM2TSHRALDH1A1KDM4EHTT

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-105283936-B Active material process for reactivation, battery recycling method, catalyst layer, to electrode 积水化学工业株式会社 2018-09-11 CN disclosed
CN-105283936-A Method for reactivating counter electrode active material for dye-sensitive solar cell, method for regenerating dye-sensitive solar cell in which said method is used, catalyst layer for dye-sensitive solar cell, counter electrode, electrolyte, and dye-sensitive solar cell SEKISUI CHEMICAL CO LTD 2016-01-27 CN disclosed