SCHEMBL20117837

SCHEMBL20117837

COCC(C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
ALOX5 P09917 1/20 0.50
NR3C2 P08235 1/20 0.46
PTPRC P08575 1/20 0.44
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL245177 0.88 MAPT (0.52) MAPTSMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL245779 0.86 MAPT (0.50) MAPTSMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL6681971 0.83 MAPT (0.56) MAPTSMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL2237474 0.81 MAPT (0.52) MAPTSMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL25402190 0.81 RXFP1 (0.46) MAPTSMN1; SMN2MEN1KMT2AHTT
SCHEMBL29949243 0.81 CTSL (0.41) MAPTSMN1; SMN2ALDH1A1CYP2C9CYP2C19
SCHEMBL244443 0.80 MAPT (0.56) MAPTSMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL246643 0.79 SMN1; SMN2 (0.50) MAPTSMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL245442 0.78 MAPT (0.43) MAPTSMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL17771216 0.78 SMN1; SMN2 (0.43) MAPTSMN1; SMN2RAB9ANPC1ALOX5

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
EP-2349990-B1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE PIMCO 2664 LTD (GB) 2018-05-02 EP disclosed