SCHEMBL9735138

SCHEMBL9735138

CC1(C)Oc2ccc([N+](=O)[O-])cc2C(N2CCCC2=O)=C1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RAB9A P51151 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
CASP6 P55212 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 2/20 0.36
NCOA1 Q15788 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
ACHE P22303 1/20 0.34
ALDH1A1 P00352 1/20 0.34
AKR1B1 P15121 1/20 0.34
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP4 P49662 1/20 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
SCHEMBL9148890 0.90 MEN1 (0.38) KMT2AMEN1RAB9ANR1H4CASP6
SCHEMBL9144351 0.90 CASP6 (0.39) KMT2AMEN1RAB9ANR1H4CASP6
SCHEMBL9144401 0.89 KMT2A (0.40) KMT2AMEN1RAB9ANR1H4CASP6
SCHEMBL9148298 0.89 HTT (0.38) KMT2AMEN1RAB9ANR1H4CASP6
SCHEMBL9150069 0.88 KMT2A (0.38) KMT2AMEN1RAB9ANR1H4CASP6
SCHEMBL9147836 0.88 MEN1 (0.39) KMT2AMEN1RAB9ANR1H4CASP6
SCHEMBL9148151 0.88 KMT2A (0.36) KMT2AMEN1RAB9ANR1H4CASP6
SCHEMBL9150684 0.88 KMT2A (0.38) KMT2AMEN1RAB9ANR1H4CASP6
SCHEMBL9146730 0.87 MEN1 (0.35) KMT2AMEN1RAB9ANR1H4CASP6
SCHEMBL9144578 0.87 KMT2A (0.40) KMT2AMEN1RAB9ANR1H4CASP6

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