SCHEMBL7337608

SCHEMBL7337608

OC(CCc1ccccc1)c1cnc2sc3ccccc3n12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
CHEK1 O14757 1/20 0.38
PDGFRA P16234 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
FAAH O00519 3/20 0.37
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 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
SCHEMBL7330788 0.86 NPC1 (0.42) RAB9AKDM4ENPC1TP53SMN1; SMN2
SCHEMBL7332741 0.86 MAPK14 (0.37) FAAHKDM4ENPC1TP53MAPT
SCHEMBL7331144 0.83 PTPN11 (0.50) RAB9AKDM4ETP53ALDH1A1HPGD
SCHEMBL7335512 0.80 DCTPP1 (0.43) RAB9AFAAHKDM4ENPC1ALDH1A1
SCHEMBL7338395 0.76 DCTPP1 (0.42) RAB9AKDM4ENPC1TP53ALDH1A1
SCHEMBL7329929 0.76 DCTPP1 (0.40) RAB9ACDK5KDM4ENPC1TP53
SCHEMBL7338349 0.75 DCTPP1 (0.41) RAB9AKDM4ENPC1TP53ALDH1A1
SCHEMBL7338466 0.75 DCTPP1 (0.41) RAB9AKDM4ENPC1TP53ALDH1A1
SCHEMBL7330585 0.74 ALDH1A1 (0.53) RAB9AKDM4ENPC1ALDH1A1HPGD
SCHEMBL7338080 0.73 DCTPP1 (0.42) RAB9AFAAHKDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191124-B1 VIRICIDES PHARMACIA & UPJOHN COMPANY 2001-02-20 US claimed
EP-0757692-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-12 EP claimed
WO-1995029922-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-09 WO claimed
US-6191124-B1 VIRICIDES PHARMACIA & UPJOHN COMPANY 2001-02-20 US disclosed
EP-0757692-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1997-02-12 EP disclosed
WO-1995029922-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-09 WO disclosed