SCHEMBL9367306

SCHEMBL9367306

COc1ccc(-c2nnc(-c3cccc(-c4nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n4)c3)o2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.61
RAB9A P51151 5/20 0.61
KDM4E B2RXH2 8/20 0.58
ALDH1A1 P00352 6/20 0.58
HPGD P15428 6/20 0.58
MAPK1 P28482 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
HSD17B10 Q99714 5/20 0.55
TP53 P04637 3/20 0.51
TSHR P16473 5/20 0.50
MAPT P10636 4/20 0.50
PRNP P04156 1/20 0.49
ALPG P10696 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
ACHE P22303 1/20 0.46
LMNA P02545 2/20 0.45
GUSB P08236 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL9368291 0.93 KDM4E (0.60) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL25960 0.84 ALDH1A1 (0.47) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL29516909 0.84 ALDH1A1 (0.47) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL9337870 0.82 MAPK1 (0.48) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL9337864 0.81 ACHE (0.49) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL9373443 0.79 ACHE (0.57) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL12964716 0.78 KDM4E (0.83) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL9373450 0.78 KDM4E (0.43) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL9368249 0.77 NPC1 (0.45) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL9686677 0.76 MAPK1 (0.61) NPC1RAB9AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0332043-B1 Oxadiazole derivatives containing 4,6-bis-trichloromethyl-s-triazin-2-yl groups, process for their preparation and photosensitive mixture containing them HOECHST AG (DE) 1994-05-18 EP disclosed
US-5216158-A Oxadiazole compounds containing 4,6-bis-trichloromethyl-S-triazin-2-yl groups, process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-01 US disclosed
EP-0332043-A1 Oxadiazole derivatives containing 4,6-bis-trichloromethyl-s-triazin-2-yl groups, process for their preparation and photosensitive mixture containing them HOECHST AKTIENGESELLSCHAFT (DE) 1989-09-13 EP disclosed