SCHEMBL7336325

SCHEMBL7336325

OC(CCc1ccc2ccccc2c1)c1cnc2sc3c(n12)CCCCC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
MAPT P10636 10/20 0.38
TP53 P04637 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
DCTPP1 Q9H773 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL7338466 0.90 DCTPP1 (0.41) MAPTTP53RXFP1DCTPP1ALDH1A1
SCHEMBL7338349 0.90 DCTPP1 (0.41) MAPTTP53RXFP1DCTPP1ALDH1A1
SCHEMBL7338395 0.88 DCTPP1 (0.42) MAPTTP53RXFP1DCTPP1ALDH1A1
SCHEMBL7329929 0.86 DCTPP1 (0.40) MAPTTP53RXFP1DCTPP1ALDH1A1
SCHEMBL7337801 0.83 DCTPP1 (0.40) MAPTTP53DCTPP1ALDH1A1KDM4E
SCHEMBL7329785 0.83 MAPT (0.42) MAPTTP53RXFP1DCTPP1ALDH1A1
SCHEMBL7897255 0.81 MAPT (0.40) MAPTTP53RXFP1DCTPP1ALDH1A1
SCHEMBL7330176 0.79 HCAR2 (0.43) HCAR2MAPTTP53RXFP1DCTPP1
SCHEMBL7337668 0.69 LMNA (0.42) MAPTTP53RXFP1DCTPP1ALDH1A1
SCHEMBL7337608 0.66 RAB9A (0.43) MAPTTP53ALDH1A1KDM4ELMNA

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