SCHEMBL7658261

SCHEMBL7658261

CC(=O)Nc1ccc(CCNC(=O)c2cc(-c3ccc(F)cc3)c3c4c(ccc3n2)OCO4)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
FAAH O00519 6/20 0.42
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GFER P55789 1/20 0.39
THRB P10828 1/20 0.39
ADORA2B P29275 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL7655128 0.88 RAB9A (0.52) MAPTRAB9ANPC1FAAHLMNA
SCHEMBL7658421 0.85 NPC1 (0.41) MAPTRAB9ANPC1FAAHLMNA
SCHEMBL7662218 0.79 PTGS2 (0.42) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL7655633 0.75 GRM2 (0.43) KMT2AALDH1A1GAAPOLBMEN1
SCHEMBL7662979 0.75 NPC1 (0.60) MAPTRAB9ANPC1FAAHLMNA
SCHEMBL7655647 0.74 MAPT (0.51) MAPTRAB9ALMNAKMT2AALDH1A1
SCHEMBL7659603 0.73 SIRT2 (0.45) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL7659132 0.70 KMT2A (0.62) MAPTRAB9ANPC1LMNAKMT2A
SCHEMBL7655836 0.70 ALDH1A1 (0.50) MAPTRAB9ANPC1KMT2AALDH1A1
SCHEMBL7662426 0.69 ADORA3 (0.43) MAPTRAB9ANPC1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed