SCHEMBL4580680

SCHEMBL4580680

COc1c(C)cc(O)cc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 3/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.43
MAPK10 P53779 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 3/20 0.41
MAPT P10636 2/20 0.41
ACHE P22303 1/20 0.41
PARP1 P09874 1/20 0.41
IKBKB O14920 1/20 0.38
TSHR P16473 1/20 0.38
APOBEC3A P31941 1/20 0.38
HTT P42858 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL12505480 0.83 NNMT (0.50) NNMTKDM4EMAPK10ALDH1A1ACHE
SCHEMBL29046678 0.81 CYP3A4 (0.53) NPC1KDM4ERECQLTDP1ALDH1A1
SCHEMBL25514830 0.81 NNMT (0.45) NNMTKDM4EMAPK10TDP1ALDH1A1
SCHEMBL347496 0.79 NNMT (0.46) NNMTKDM4ESMN1; SMN2MAPK10TDP1
SCHEMBL9768514 0.77 TDP1 (0.59) NPC1RAB9ATP53SMN1; SMN2TDP1
SCHEMBL25514832 0.75 ALDH1A1 (0.54) NNMTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL14610813 0.75 IKBKB (0.63) IKBKB
SCHEMBL17779280 0.75 KDM4E (0.47) NNMTKDM4ETP53SMN1; SMN2TDP1
SCHEMBL11466514 0.74 GSK3B (0.42) NNMTNPC1RAB9AKDM4ETP53
SCHEMBL1863405 0.73 ALDH1A1 (0.49) NNMTNPC1RAB9AKDM4ESMN1; SMN2

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-20080312349-A1 METHOD OF MAKING AND USING MEMBRANE GENERAL ELECTRIC COMPANY (US) 2008-12-18 US disclosed
WO-2008103599-A2 COMPOSITION, ITS USE IN THE PREPARATION OF MEMBRANES, AND SYSTEMS COMPRISING THE MEMBRANES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2008-08-28 WO disclosed
US-20080207822-A1 COMPOSITION AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2008-08-28 US disclosed
US-20080203012-A1 MEMBRANE, APPARATUS, AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2008-08-28 US disclosed