SCHEMBL10998660

SCHEMBL10998660

O=C(O)c1cn2c3c(c(Cl)cc(Cl)c3c1=O)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
HTT P42858 1/20 0.34
SLC16A3 O15427 1/20 0.33
STAT3 P40763 1/20 0.33
KDM4E B2RXH2 4/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
ADRA2B P18089 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL11163835 0.82 ALDH1A1 (0.39) TSHRPOLBALDH1A1LMNAHTT
SCHEMBL10994730 0.81 LMNA (0.43) POLBALDH1A1LMNAKDM4ETDP1
Hydrochloric Acid SCHEMBL11167111 0.81 ALDH1A1 (0.39) TSHRPOLBALDH1A1LMNAHTT
SCHEMBL9145502 0.78 CSNK2A2 (0.40) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL11166426 0.76 TOP2A (0.40) TSHRALDH1A1LMNAHTTKDM4E
SCHEMBL11173369 0.74 SIGMAR1 (0.43) MEN1KMT2A
SCHEMBL11258443 0.72 KDM4E (0.44) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL11163715 0.71 CSNK2A2 (0.41) TSHRPOLBKMT2AALDH1A1LMNA
SCHEMBL11168344 0.70 TOP2A (0.42) TSHRPOLBALDH1A1LMNAHTT
SCHEMBL3982534 0.70 KDM4E (0.44) POLBALDH1A1LMNASLC16A3KDM4E

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
US-4552879-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-11-12 US disclosed
US-4416884-A ANTIBIOTIC, BACTERICIDE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-22 US disclosed
US-4399134-A BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-08-16 US disclosed
US-4317820-A β-Lactam series compound and antibacterial pharmaceutical composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1982-03-02 US disclosed