SCHEMBL7328336

SCHEMBL7328336

O=C(/C=C/c1ccoc1)c1cnc2sc3c(n12)CCCCC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
MAPT P10636 12/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
DCTPP1 Q9H773 1/20 0.38
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PKM P14618 1/20 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
SCHEMBL7328339 1.00 HCAR2 (0.39) HCAR2MAPTALDH1A1KDM4EMEN1
SCHEMBL7336228 0.83 LMNA (0.52) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7336232 0.83 LMNA (0.52) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7338742 0.81 FLT3 (0.42) HCAR2MAPTALDH1A1KDM4EMEN1
SCHEMBL7330544 0.81 KDM4E (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7330541 0.81 KDM4E (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7332793 0.80 MAPT (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7332795 0.80 MAPT (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7365039 0.79 MAOB (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7339064 0.79 HCAR2 (0.47) HCAR2MAPTALDH1A1KDM4EMEN1

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