SCHEMBL9733223

SCHEMBL9733223

CC1(C)Oc2ccc([N+](=O)[O-])cc2C(N2CCCC2=O)=C1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 1/20 0.38
CASP6 P55212 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
NCOA1 Q15788 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
HTT P42858 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP4 P49662 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL9147582 0.86 KMT2A (0.40) MEN1KMT2ARAB9ACASP6TDP1
SCHEMBL9733185 0.84 SMN1; SMN2 (0.33) MEN1KMT2ARAB9APOLBMALT1
SCHEMBL9148298 0.84 HTT (0.38) MEN1KMT2ARAB9ACASP6TDP1
SCHEMBL9144539 0.84 HTT (0.35) MEN1KMT2ARAB9ACASP6TDP1
SCHEMBL9148151 0.83 KMT2A (0.36) MEN1KMT2ARAB9ACASP6TDP1
SCHEMBL9148890 0.82 MEN1 (0.38) MEN1KMT2ARAB9ACASP6TDP1
SCHEMBL9735138 0.82 KMT2A (0.40) MEN1KMT2ARAB9ACASP6TDP1
SCHEMBL9144351 0.82 CASP6 (0.39) MEN1KMT2ARAB9ACASP6TDP1
SCHEMBL9145509 0.82 NR1H4 (0.36) MEN1KMT2ARAB9ACASP6TDP1
SCHEMBL9146466 0.81 MEN1 (0.36) MEN1KMT2ARAB9ACASP6TDP1

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-5143924-A OXODIHYDROPYRIDYL CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed