SCHEMBL7336434

SCHEMBL7336434

OC(CCc1cccc(Br)c1)c1cnc2sc3c(n12)CCCCC3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 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
KMT2A Q03164 1/20 0.37
DCTPP1 Q9H773 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
IDO1 P14902 1/20 0.34
PTGER4 P35408 2/20 0.33

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 0.89 DCTPP1 (0.41) MAPTLMNAKDM4EALDH1A1HSD17B10
SCHEMBL7338349 0.89 DCTPP1 (0.41) MAPTLMNAKDM4EALDH1A1HSD17B10
SCHEMBL7338395 0.88 DCTPP1 (0.42) MAPTLMNAKDM4EALDH1A1HSD17B10
SCHEMBL7329929 0.85 DCTPP1 (0.40) MAPTLMNAKDM4EALDH1A1HSD17B10
SCHEMBL7337801 0.83 DCTPP1 (0.40) MAPTLMNAKDM4EALDH1A1HSD17B10
SCHEMBL7897255 0.80 MAPT (0.40) MAPTLMNAKDM4EALDH1A1HSD17B10
SCHEMBL7329142 0.79 MAPT (0.39) MAPTLMNAKDM4EALDH1A1HSD17B10
SCHEMBL7338203 0.68 HSD17B3 (0.42) MAPTLMNAKDM4EALDH1A1HSD17B10
SCHEMBL7337608 0.65 RAB9A (0.43) MAPTLMNAKDM4EALDH1A1HSD17B10
SCHEMBL7335512 0.65 DCTPP1 (0.43) LMNAKDM4EALDH1A1GAAHPGD

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
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