SCHEMBL9870052

SCHEMBL9870052

CCCCCC(=O)Oc1c(-n2nc3ccccc3n2)cc(C(C)(C)CC)cc1C(C)(C)CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 1/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
ALOX15 P16050 1/20 0.33
RECQL P46063 1/20 0.33
HPSE Q9Y251 1/20 0.32
MAPK1 P28482 2/20 0.32
CA2 P00918 2/20 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
SCHEMBL10593219 0.87 VCAM1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL10950078 0.85 RAB9A (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL11541586 0.84 ALDH1A1 (0.37) ALDH1A1
SCHEMBL9870748 0.83 VCAM1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL8995872 0.82 KMT2A (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL11542147 0.82 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL11542187 0.80 MAPK13 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL14594273 0.79 KDM4E (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL9879793 0.77 VCAM1 (0.36) SMN1; SMN2HPGDKMT2AALOX15CA2
SCHEMBL11592819 0.74 KDM4E (0.37) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5030731-A Substituted benzotriazoles; storage stability; lacquers CIBA-GEIGY CORPORATION (US) 1991-07-09 US disclosed
EP-0180548-B1 COATINGS STABILIZED AGAINST THE ACTION OF LIGHT CIBA-GEIGY AG (CH) 1989-06-28 EP disclosed
US-4775707-A BLOCKED BENZOTRIAZOLES CIBA-GEIGY CORPORATION (US) 1988-10-04 US disclosed
EP-0180548-A2 Coatings stabilized against the action of light CIBA-GEIGY AG (CH) 1986-05-07 EP disclosed