SCHEMBL7327558

SCHEMBL7327558

COc1ccc(C=CC(O)c2cnc3sc4c(n23)CCCCC4)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 3/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7332831 0.87 ALDH1A1 (0.48) MAPTALDH1A1TP53GAANPC1
SCHEMBL7332828 0.87 ALDH1A1 (0.48) MAPTALDH1A1TP53GAANPC1
SCHEMBL7330873 0.86 MAPT (0.37) MAPTALDH1A1TP53GAANPC1
SCHEMBL7336251 0.80 MAPT (0.46) MAPTALDH1A1TP53GAANPC1
SCHEMBL7336249 0.80 MAPT (0.46) MAPTALDH1A1TP53GAANPC1
SCHEMBL7332874 0.70 MAPT (0.46) MAPTALDH1A1TP53GAANPC1
SCHEMBL7338466 0.66 DCTPP1 (0.41) MAPTALDH1A1TP53GAANPC1
SCHEMBL7339811 0.66 DCTPP1 (0.43) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7339805 0.66 DCTPP1 (0.43) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7897255 0.65 MAPT (0.40) MAPTALDH1A1TP53GAANPC1

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