SCHEMBL7336249

SCHEMBL7336249

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
TP53 P04637 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
F3 P13726 3/20 0.44
FLT3 P36888 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL7336251 1.00 MAPT (0.46) MAPTALDH1A1KDM4ETP53HPGD
SCHEMBL7336228 0.86 LMNA (0.52) MAPTALDH1A1KDM4ETP53HPGD
SCHEMBL7332793 0.85 MAPT (0.42) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7328336 0.80 HCAR2 (0.39) MAPTALDH1A1KDM4ETP53HPGD
SCHEMBL7330544 0.80 KDM4E (0.44) MAPTALDH1A1KDM4ETP53HPGD
SCHEMBL7327558 0.80 MAPT (0.41) MAPTALDH1A1KDM4ETP53HPGD
SCHEMBL7365039 0.78 MAOB (0.44) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7332194 0.65 MAPT (0.47) MAPTALDH1A1KDM4ETP53HPGD
SCHEMBL7332828 0.65 ALDH1A1 (0.48) MAPTALDH1A1KDM4ETP53HPGD
SCHEMBL5915521 0.65 F3 (0.64) MAPTALDH1A1KDM4EF3MEN1

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