SCHEMBL28474641

SCHEMBL28474641

CCCc1ccc2[nH]c(C(=O)NO)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
NPC1 O15118 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RAB9A P51151 2/20 0.51
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC3 O15379 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CNR1 P21554 3/20 0.46
PYGL P06737 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 1/20 0.46
NHERF1 O14745 2/20 0.45

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
SCHEMBL28482552 1.00 KDM4E (0.59) KDM4ENPC1MEN1KMT2ARAB9A
SCHEMBL28474583 0.84 PIN1 (0.59) KDM4EKMT2ARAB9AMAPTALDH1A1
SCHEMBL28486126 0.83 KDM4E (0.55) KDM4ENPC1MEN1KMT2ARAB9A
SCHEMBL28476819 0.82 KDM4E (0.51) KDM4ENPC1MEN1KMT2ARAB9A
SCHEMBL12846301 0.77 KDM4E (0.69) KDM4ENPC1MEN1KMT2ARAB9A
SCHEMBL15642858 0.74 PLA2G4A (0.67) KDM4EKMT2AMAPTALDH1A1
SCHEMBL12826973 0.73 KDM4E (0.64) KDM4ENPC1MEN1KMT2ARAB9A
SCHEMBL12827225 0.73 KDM4E (0.64) KDM4ENPC1MEN1KMT2ARAB9A
SCHEMBL15099964 0.72 KDM4E (0.79) KDM4ENPC1MEN1KMT2ARAB9A
SCHEMBL6517075 0.72 KDM4E (0.63) KDM4ENPC1MEN1KMT2ARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111841896-B Benzo-heterocycle hydroximic acid collecting agent and preparation method and application thereof 武汉工程大学 2022-10-18 CN disclosed
CN-111841896-A Benzo-heterocycle hydroximic acid collecting agent and preparation method and application thereof 武汉工程大学 2020-10-30 CN disclosed