SCHEMBL9016674

SCHEMBL9016674

COc1cc2c(=O)cc(SC)sc2c(Br)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA4 P22748 3/20 0.33
CA6 P23280 3/20 0.33
CYP19A1 P11511 2/20 0.33
NQO2 P16083 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33

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
SCHEMBL9016588 0.84 PDE3B (0.33) PDE3BPDE3ACYP19A1NQO2TUBB4A
SCHEMBL9016620 0.74 MAOA (0.44) PDE3BPDE3AALDH1A1SMN1; SMN2HPGD
SCHEMBL9016816 0.65 PKM (0.33)
SCHEMBL28030420 0.64 CA2 (0.57) PTPN1CA1CA2CA4CA6
SCHEMBL28870388 0.63 CA2 (0.67) PTPN1CA1CA2CA4CA6
SCHEMBL3155331 0.63 CA2 (0.54) PTPN1CA1CA2CA4CA6
SCHEMBL7774098 0.61 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2CYP1A2HPGD
SCHEMBL16680098 0.60 KDM4E (0.53) PTPN1PDE3BPDE3ACYP19A1NQO2
SCHEMBL27806279 0.58 CA2 (0.50) PTPN1CA1CA2CA4CA6
SCHEMBL15260493 0.57 PTPN1 (0.57) PTPN1CA1CA2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481441-B1 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN SEIYAKU KK (JP) 1996-12-11 EP disclosed
US-5244892-A Pseudomonas KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0481441-A2 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed