SCHEMBL7336228

SCHEMBL7336228

O=C(/C=C/c1ccc(F)cc1)c1cnc2sc3c(n12)CCCCC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
TNFRSF1A P19438 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 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
TP53 P04637 3/20 0.39
DCTPP1 Q9H773 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
SCHEMBL7336232 1.00 LMNA (0.52) LMNAALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL7330541 0.89 KDM4E (0.44) LMNAALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL7330544 0.89 KDM4E (0.44) LMNAALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL7329830 0.87 NPC1 (0.44) LMNAALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL7329824 0.87 NPC1 (0.44) LMNAALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL7332793 0.86 MAPT (0.42) LMNAALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL7336251 0.86 MAPT (0.46) LMNAALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL7339064 0.83 HCAR2 (0.47) LMNAALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL7328336 0.83 HCAR2 (0.39) LMNAALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL7328339 0.83 HCAR2 (0.39) LMNAALDH1A1KDM4EHSD17B10RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191124-B1 VIRICIDES PHARMACIA & UPJOHN COMPANY 2001-02-20 US disclosed
WO-1995029922-A1 METHANOL DERIVATIVES FOR TREATMENT OF RETROVIRAL INFECTIONS ESPECIALLY HIV INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-09 WO disclosed