SCHEMBL20476341

SCHEMBL20476341

N#Cc1ccc(Oc2ccc([N+](=O)[O-])c(C3OCCO3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.48
MAPT P10636 3/20 0.44
VCAM1 P19320 2/20 0.39
CHRM1 P11229 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 1/20 0.38
PDE1A P54750 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE3A Q14432 1/20 0.38
SCN9A Q15858 6/20 0.37
PKM P14618 2/20 0.36
NPC1 O15118 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL30826553 0.78 PDE4B (0.44) MAPTCHRM1PDE4AADRA1APDE1A
SCHEMBL21241613 0.78 PDE4B (0.44) MAPTCHRM1PDE4AADRA1APDE1A
SCHEMBL28602490 0.78 PDE4B (0.41) MAPTCHRM1PDE4AADRA1APDE1A
SCHEMBL2476070 0.78 NPC1 (0.47) MAPTNPC1KDM4EMEN1MAPK1
SCHEMBL860782 0.76 MERTK (0.68) MERTKMAPTVCAM1PDE7APKM
SCHEMBL10656431 0.75 ALDH1A1 (0.47) MAPTPKMNPC1KDM4EMEN1
SCHEMBL20982786 0.75 MERTK (0.56) MERTKMAPTVCAM1PDE7APKM
SCHEMBL10657383 0.73 PRMT5 (0.37) MAPTPKMNPC1KDM4EMEN1
SCHEMBL29406469 0.72 ALDH1A1 (0.40) MAPTVCAM1NPC1KDM4ELMNA
SCHEMBL11289001 0.71 MEN1 (0.45) MAPTKDM4EMEN1LMNAMAPK1

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
WO-2018150327-A1 CRISABOROLE PRODUCTION PROCESS WAVELENGTH ENTERPRISES LTD (IL) 2018-08-23 WO claimed
WO-2018150327-A1 CRISABOROLE PRODUCTION PROCESS WAVELENGTH ENTERPRISES LTD (IL) 2018-08-23 WO disclosed