SCHEMBL28198680

SCHEMBL28198680

Nc1nncc(Cl)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SMARCA2 P51531 2/20 0.38
SMARCA4 P51532 2/20 0.38
PBRM1 Q86U86 2/20 0.38
KMT2A Q03164 2/20 0.38
AKT2 P31751 1/20 0.38
HTT P42858 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL10953892 0.81 MAPT (0.41) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL528504 0.80 GABRA1 (0.39) MAPK1NPSR1KDM4EALDH1A1LMNA
SCHEMBL10963157 0.78 SMN1; SMN2 (0.39) MAPK1NPSR1KDM4EALDH1A1LMNA
SCHEMBL28170245 0.73 SMARCA2 (0.44) NPSR1KDM4EALDH1A1LMNAGLA
SCHEMBL11516978 0.73 DHFR (0.42) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL28145719 0.71 ADORA2A (0.41) MAPK1NPSR1KDM4EALDH1A1LMNA
SCHEMBL115757 0.70 MAPK1 (0.52) MAPK1NPSR1KDM4ELMNASMARCA2
SCHEMBL723656 0.70 GRIA1 (0.43) MAPK1KDM4EALDH1A1LMNAGLA
SCHEMBL28152930 0.68 LMNA (0.41) MAPK1NPSR1KDM4EALDH1A1LMNA
SCHEMBL30239892 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531668-A Therapeutic pyridazine compound and application thereof 基因泰克公司 2018-01-02 CN disclosed