SCHEMBL9712153

SCHEMBL9712153

CNc1ccc(N)c2c1C1(OC2=O)c2ccccc2Oc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.40
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
BRCA1 P38398 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDK2 Q15119 2/20 0.34
PDK1 Q15118 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
FTO Q9C0B1 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 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
SCHEMBL9562281 0.82 BRCA1 (0.36) HPGDALDH1A1CYP2C9ALOX15ALOX12
SCHEMBL10910338 0.82 GRK6 (0.37) GRK6HPGDALDH1A1CYP2C9ALOX15
SCHEMBL7770382 0.81 GRK6 (0.34) GRK6HPGDALDH1A1CYP2C9ALOX15
SCHEMBL9442975 0.81 CYP3A4 (0.37) HPGDALDH1A1CYP2C9ALOX15ALOX12
SCHEMBL9712154 0.80 ALDH1A1 (0.36) HPGDALDH1A1CYP2C9ALOX15ALOX12
SCHEMBL10703894 0.80 MAPT (0.44) HPGDALDH1A1CYP2C9ALOX15ALOX12
SCHEMBL10358541 0.79 MAPT (0.45) HPGDALDH1A1CYP2C9ALOX15ALOX12
SCHEMBL10706750 0.79 EGFR (0.40) GRK6HPGDALDH1A1CYP2C9ALOX15
SCHEMBL691311 0.78 FTO (0.42) GRK6HPGDALDH1A1CYP2C9ALOX15
SCHEMBL4430486 0.77 GAA (0.48) ALDH1A1MAPTMEN1KMT2ALMNA

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
WO-1992018338-A1 HEAT-SENSITIVE RECORDING MATERIAL IN THE FORM OF A MULTI-LAYER COMPOSITE RENKER GMBH & CO. KG (DE) 1992-10-29 WO disclosed