SCHEMBL16063587

SCHEMBL16063587

COC(=O)C(C)Oc1cc(F)c(-c2c(Cl)n3n(c2=O)CCOCC3)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 6/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL16063527 1.00 KMT2A (0.36) KMT2AMAPTALDH1A1POLBNPC1
SCHEMBL16063545 0.92 GPR174 (0.33) KMT2AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL16063540 0.92 GPR174 (0.33) KMT2AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL16063565 0.85 HTT (0.40) KMT2AMAPTALDH1A1MAPK1LMNA
SCHEMBL16063521 0.83 ALDH1A1 (0.40) KMT2AMAPTALDH1A1POLBNPC1
SCHEMBL16063497 0.83 PPOX (0.41) KMT2AMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL16063453 0.83 GPR174 (0.33) KMT2AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL16063519 0.79 MAPT (0.42) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL17466169 0.78 MAPT (0.40) MAPTALDH1A1POLBNPC1SMN1; SMN2
SCHEMBL16063523 0.78 MAPT (0.42) KMT2AMAPTALDH1A1SMN1; SMN2MAPK1

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
WO-2014142308-A1 BICYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF 公益財団法人相模中央化学研究所 (JP) 2014-09-18 WO disclosed