SCHEMBL31305752

SCHEMBL31305752

O=c1[nH]nc(Br)c2c1sc1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.53
TNKS2 Q9H2K2 3/20 0.53
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HCRTR1 O43613 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 3/20 0.39
DUSP3 P51452 2/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
MCL1 Q07820 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 2/20 0.39

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
SCHEMBL31305773 0.81 TNKS (0.53) TNKSTNKS2MEN1KMT2ANPSR1
SCHEMBL31305727 0.79 TNKS (0.50) TNKSTNKS2MEN1KMT2ANPSR1
SCHEMBL31305689 0.78 TNKS (0.49) TNKSTNKS2MEN1KMT2ANPSR1
SCHEMBL3603313 0.71 TNKS (0.51) TNKSTNKS2MEN1KMT2ANPSR1
SCHEMBL4060640 0.70 ATM (0.57) NPSR1ALDH1A1KDM4EMAPTPOLB
SCHEMBL23327869 0.67 TNKS (0.61) TNKSTNKS2MEN1KMT2ANPSR1
SCHEMBL31683845 0.67 TNKS (0.61) TNKSTNKS2MEN1KMT2ANPSR1
SCHEMBL17010959 0.67 GPR3 (0.60) TNKSTNKS2MEN1KMT2ANPSR1
SCHEMBL14560923 0.65 TNKS (0.51) TNKSTNKS2MEN1KMT2ANPSR1
SCHEMBL17252906 0.65 PTPN1 (0.46) TNKSTNKS2MEN1KMT2ANPSR1

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-119431394-A Pyridazinone derivatives and medical application thereof 杭州百新生物医药科技有限公司 2025-02-14 CN disclosed