SCHEMBL7330176

SCHEMBL7330176

O=C(CCc1ccc2ccccc2c1)c1cnc2sc3c(n12)CCCCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.43
DCTPP1 Q9H773 1/20 0.41
MAPT P10636 7/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 3/20 0.39
RXFP1 Q9HBX9 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL7336361 0.85 MAPT (0.39) DCTPP1MAPTLMNAKDM4EALDH1A1
SCHEMBL7332874 0.83 MAPT (0.46) DCTPP1MAPTLMNAKDM4EALDH1A1
SCHEMBL7336325 0.79 HCAR2 (0.39) HCAR2DCTPP1MAPTLMNAKDM4E
SCHEMBL7328454 0.68 MAPT (0.71) DCTPP1MAPTLMNAKDM4EALDH1A1
SCHEMBL7329865 0.66 MAPT (0.72) DCTPP1MAPTLMNAKDM4EALDH1A1
SCHEMBL7329824 0.65 NPC1 (0.44) DCTPP1MAPTLMNAKDM4EALDH1A1
SCHEMBL7338205 0.65 HSD17B3 (0.42) DCTPP1MAPTLMNAKDM4EALDH1A1
SCHEMBL7337801 0.65 DCTPP1 (0.40) DCTPP1MAPTLMNAKDM4EALDH1A1
SCHEMBL7329395 0.65 MAPT (0.50) DCTPP1MAPTLMNAKDM4EALDH1A1
SCHEMBL28711502 0.64 CYP1A2 (0.49) HCAR2MAPTLMNAKDM4EALDH1A1

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