SCHEMBL7338266

SCHEMBL7338266

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
RXFP1 Q9HBX9 2/20 0.38
MAPT P10636 5/20 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 2/20 0.37
HTT P42858 2/20 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
DCTPP1 Q9H773 1/20 0.36
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
PDE1B Q01064 1/20 0.34

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) KMT2ANPC1RAB9ARXFP1MAPT
SCHEMBL7338349 0.89 DCTPP1 (0.41) KMT2ANPC1RAB9ARXFP1MAPT
SCHEMBL7338395 0.88 DCTPP1 (0.42) KMT2ANPC1RAB9ARXFP1MAPT
SCHEMBL7329929 0.85 DCTPP1 (0.40) KMT2ANPC1RAB9ARXFP1MAPT
SCHEMBL7337801 0.83 DCTPP1 (0.40) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL7897255 0.80 MAPT (0.40) KMT2ANPC1RAB9ARXFP1MAPT
SCHEMBL7365035 0.68 MAOB (0.44) KMT2ANPC1RAB9ARXFP1MAPT
SCHEMBL7329142 0.67 MAPT (0.39) KMT2ANPC1RAB9ARXFP1MAPT
SCHEMBL7337747 0.66 DCTPP1 (0.37) KMT2ANPC1RAB9AMAPTLMNA
SCHEMBL7332831 0.65 ALDH1A1 (0.48) KMT2ANPC1RAB9ARXFP1MAPT

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