SCHEMBL9470659

SCHEMBL9470659

O=C1C(=O)N2CCCCc3cc([N+](=O)[O-])cc1c32

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.51
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CASP3 P42574 2/20 0.38
CASP1 P29466 1/20 0.38
CASP4 P49662 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
CASP6 P55212 1/20 0.38
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PABPC1 P11940 1/20 0.36
S1PR1 P21453 1/20 0.36
RAD52 P43351 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
PTPRC P08575 1/20 0.35

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
SCHEMBL9172070 0.96 CES1 (0.56) CES1MEN1KMT2ACASP3CASP1
SCHEMBL9470716 0.77 CES1 (0.56) CES1MEN1KMT2AHTTMAPT
SCHEMBL9178564 0.73 CASP1 (0.38) CES1MEN1KMT2ACASP3CASP1
SCHEMBL749609 0.73 CES1 (0.90) CES1MEN1KMT2AHTTPOLB
SCHEMBL10367966 0.72 CES1 (0.62) CES1MEN1KMT2AHTTMAPT
SCHEMBL10367642 0.72 CES1 (0.62) CES1MEN1KMT2AHTTMAPT
SCHEMBL2429208 0.72 CES1 (0.88) CES1MEN1KMT2AHTTPOLB
SCHEMBL9170783 0.72 CES1 (0.62) CES1MEN1KMT2AHTTMAPT
SCHEMBL9178459 0.72 CES1 (0.62) CES1MEN1KMT2AHTTMAPT
SCHEMBL14074443 0.71 MAPT (0.49) MEN1KMT2AHTTMAPTRAD52

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-5242912-A Treatment of autoimmune and rheumatic diseases and osteoporosis KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-09-07 US disclosed