SCHEMBL8552970

SCHEMBL8552970

Cn1c(=O)c2nc(OC(=O)O)cn2c2ccc(C(F)(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.35
THRB P10828 1/20 0.35
MAT2A P31153 1/20 0.34
TEAD1 P28347 1/20 0.34
TEAD4 Q15561 1/20 0.34
TEAD2 Q15562 1/20 0.34
TEAD3 Q99594 1/20 0.34
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
KMO O15229 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRA2A P08913 1/20 0.33
MEN1 O00255 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 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
SCHEMBL9041732 0.86 GRIN1 (0.38) KDM4ETDP1USP2POLBRORA
SCHEMBL8557499 0.78 PDE5A (0.46) ALDH1A1MEN1PMP22KMT2AHPGD
SCHEMBL9044930 0.76 PGR (0.35) KDM4ETDP1ALDH1A1ADRB2ADRA2A
SCHEMBL9041875 0.71 PDE2A (0.34) MAT2AMAOB
SCHEMBL8555347 0.69 PDE5A (0.41) ALDH1A1MEN1PMP22KMT2AUSP2
SCHEMBL15473611 0.66 ALDH1A1 (0.47) SRCKDM4EKMOALDH1A1MEN1
SCHEMBL11086547 0.65 GABRA5 (0.49) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL11343226 0.63 PFKFB3 (0.44) KDM4EALDH1A1USP2HPGDCYP2C19
SCHEMBL8557963 0.63 GRIN2D (0.40)
SCHEMBL10745368 0.63 CYP1A2 (0.40) ALDH1A1MEN1PMP22KMT2ACYP2C19

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
EP-0691970-B1 IMIDAZOLOQUINOXALINONE DERIVATIVES AS EAA ANTAGONISTS BASF AG (DE) 1998-11-11 EP disclosed