SCHEMBL9490844

SCHEMBL9490844

O=C(O)Cc1ccc(N2C(=O)N=NC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.56
GAA P10253 2/20 0.53
NSD2 O96028 1/20 0.53
POLB P06746 1/20 0.53
GRK2 P25098 1/20 0.53
CASP6 P55212 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
KLKB1 P03952 1/20 0.51
CTSB P07858 1/20 0.51
CA2 P00918 1/20 0.48
CAMK2A Q9UQM7 1/20 0.48
PTGER4 P35408 4/20 0.48
LMNA P02545 2/20 0.47
AKR1B1 P15121 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
ABCC4 O15439 1/20 0.46
TSHR P16473 1/20 0.46
PTGS1 P23219 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL6755043 0.79 MGLL (0.62) QPCTNSD2POLBGRK2CASP6
SCHEMBL30110715 0.79 GAA (0.54) GAACA2TSHR
SCHEMBL9492443 0.78 MGLL (0.59) GAALMNATSHRHTTALDH1A1
SCHEMBL22184094 0.78 CA12 (0.59) QPCTGAANSD2POLBGRK2
Hydrochloric Acid SCHEMBL6753371 0.78 MGLL (0.60) QPCTNSD2POLBGRK2CASP6
Hydrazine SCHEMBL16908509 0.76 MGLL (0.58) QPCTNSD2POLBGRK2CASP6
SCHEMBL8889327 0.76 KLKB1 (0.59) QPCTGAANSD2POLBGRK2
SCHEMBL6561206 0.75 PPARA (0.69) GAANSD2POLBGRK2CASP6
SCHEMBL18211463 0.75 MGLL (0.62) GAAPOLBLMNACYP1A2ALDH1A1
SCHEMBL8678750 0.75 DDAH1 (0.62) GAAPOLBCA2TSHRALDH1A1

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-0338425-B1 MODIFIED POLYPHENYLENE ETHERS BASF Aktiengesellschaft (DE) 1993-03-03 EP claimed
EP-0338425-A1 Modified polyphenylene ethers BASF Aktiengesellschaft (DE) 1989-10-25 EP claimed
EP-0338425-B1 MODIFIED POLYPHENYLENE ETHERS BASF Aktiengesellschaft (DE) 1993-03-03 EP disclosed