SCHEMBL19320476

SCHEMBL19320476

Cc1nc(/C=C/c2ccc(C)o2)nc(C(Cl)(Cl)Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.44
ALDH1A1 P00352 11/20 0.39
MAPT P10636 10/20 0.39
KDM4E B2RXH2 9/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
RAB9A P51151 5/20 0.39
HTT P42858 3/20 0.39
NPC1 O15118 3/20 0.39
LMNA P02545 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 4/20 0.34
HPGD P15428 5/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ALOX5 P09917 2/20 0.31

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
SCHEMBL498611 0.92 BRAF (0.47) BRAFALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL25422554 0.92 BRAF (0.47) BRAFALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL498610 0.92 BRAF (0.47) BRAFALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL30724511 0.84 BRAF (0.40) BRAFALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL13883530 0.82 BRAF (0.40) BRAFALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL17122503 0.81 BRAF (0.42) BRAFALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL13742201 0.81 BRAF (0.41) BRAFALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL5188282 0.81 BRAF (0.41) BRAFALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL4531763 0.78 BRAF (0.43) BRAFALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL5019510 0.74 HRH4 (0.41) ALDH1A1MAPTKDM4ERELAHPGD

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
US-20170255100-A1 DRY FILM STRUCTURE FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2017-09-07 US disclosed