SCHEMBL7970165

SCHEMBL7970165

O=C1Cc2ccccc2N1C1=CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
KMT2A Q03164 8/20 0.49
CASP6 P55212 6/20 0.49
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 6/20 0.46
TLR9 Q9NR96 2/20 0.46
PKM P14618 1/20 0.46
NOTUM Q6P988 1/20 0.42
MEN1 O00255 7/20 0.42
RNASEH1 O60930 1/20 0.41
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
PABPC1 P11940 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL31422646 0.73 HPGD (1.00) HPGDKMT2ACASP6CASP3SENP8
SCHEMBL143970 0.73 HPGD (1.00) HPGDKMT2ACASP6CASP3SENP8
SCHEMBL20345682 0.72 HPGD (0.56) HPGDKMT2ACASP6CASP3SENP8
SCHEMBL11032644 0.71 HPGD (0.59) HPGDKMT2ACASP6CASP3SENP8
SCHEMBL2982634 0.71 GAA (0.59) HPGDKMT2ACASP6CASP3SENP8
SCHEMBL29651988 0.71 GAA (0.59) HPGDKMT2ACASP6CASP3SENP8
SCHEMBL7008036 0.70 HPGD (0.62) HPGDKMT2ACASP6CASP3SENP8
SCHEMBL11133610 0.70 HPGD (0.62) HPGDKMT2ACASP6CASP3SENP8
SCHEMBL27274790 0.70 HPGD (0.53) HPGDKMT2ACASP6CASP3SENP8
SCHEMBL4409235 0.69 HPGD (0.56) HPGDKMT2ACASP6CASP3SENP8

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
US-6316429-B1 ENZYME INHIBITORS MODULATE THE ACTIVITY OF PROTEIN KINASES AND THEREFORE ARE EXPECTED TO BE USEFUL IN THE PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED CELLULAR DISORDERS SUCH AS CANCER. SUGEN, INC. 2001-11-13 US disclosed