SCHEMBL21994253

SCHEMBL21994253

NC(=S)N(N)Cc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LIN28A Q9H9Z2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HRH1 P35367 1/20 0.44
LMNA P02545 1/20 0.44
KCNA5 P22460 1/20 0.44
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
HTT P42858 1/20 0.40
PARP10 Q53GL7 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
SCHEMBL3068412 0.84 MAPT (0.53) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL9259765 0.81 SMN1; SMN2 (0.50) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL19625142 0.77 SMN1; SMN2 (0.50) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL17399715 0.77 MAPT (0.63) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL30940202 0.73 HRH1 (0.50) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL6237462 0.73 HRH1 (0.50) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL18773876 0.72 TRPM8 (0.46) MAPTSMN1; SMN2LIN28ATDP1KCNA5
SCHEMBL24152788 0.72 SMN1; SMN2 (0.68) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL138261 0.72 SMN1; SMN2 (0.83) MAPTSMN1; SMN2LIN28ATDP1HRH1
SCHEMBL27136828 0.72 LMNA (0.51) MAPTSMN1; SMN2LIN28ATDP1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020107221-A1 CHEMICAL ACTIVATORS OF NICOTINAMIDE MONONUCLEOTIDE ADENLYLY TRANSFERASE 2 (NMNAT2) AND USES THEREOF TSINGHUA UNIVERSITY (CN) 2020-06-04 WO claimed
WO-2020107221-A1 CHEMICAL ACTIVATORS OF NICOTINAMIDE MONONUCLEOTIDE ADENLYLY TRANSFERASE 2 (NMNAT2) AND USES THEREOF TSINGHUA UNIVERSITY (CN) 2020-06-04 WO disclosed
CN-104327532-B Preparation method of bromine ammonia blue 大连理工大学 2016-08-24 CN disclosed
CN-104326947-B Preparation method of reactive brilliant blue K-GR intermediate 大连理工大学 2016-08-24 CN disclosed
CN-104312193-B Method for synthesizing anthraquinone type dye or chromophore by arylamining bromamine acid 大连理工大学 2016-06-15 CN disclosed
CN-104326947-A Preparation method of reactive brilliant blue K-GR intermediate UNIV DALIAN TECH 2015-02-04 CN disclosed
CN-104326953-A Preparation method of reactive brilliant blue KN-R intermediate UNIV DALIAN TECH 2015-02-04 CN disclosed
CN-104327532-A Preparation method of bromine ammonia blue UNIV DALIAN TECH 2015-02-04 CN disclosed
CN-104312193-A Method for synthesizing anthraquinone type dye or chromophore by arylamining bromamine acid UNIV DALIAN TECH 2015-01-28 CN disclosed