SCHEMBL19973124

SCHEMBL19973124

O=[N+]([O-])c1cccc(OCc2c(F)cccc2Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
HTT P42858 1/20 0.47
AR P10275 1/20 0.47
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOB P27338 1/20 0.45
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL18600867 0.78 AR (0.44) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL1647131 0.78 AR (0.44) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL4638799 0.76 KMT2A (0.60) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL31172240 0.76 KMT2A (0.60) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL15475131 0.76 HPGD (0.43) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL2362378 0.76 MAOA (0.58) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL18304358 0.75 MAOB (0.62) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL29034464 0.74 MAPT (0.53) MAPTALDH1A1KMT2AMEN1CHRNB2
SCHEMBL810521 0.74 MAOB (0.63) MAPTALDH1A1KMT2AMEN1CHRNB2
SCHEMBL19065126 0.74 KMT2A (0.52) MAPTALDH1A1KMT2AMEN1HTT

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-2018052903-A1 RORγ MODULATORS THE SCRIPPS RESEARCH INTITUTE (US) 2018-03-22 WO disclosed