SCHEMBL8725951

SCHEMBL8725951

FC(F)(F)c1ccccc1NC(=S)Nc1ccc2[nH]cc(C3=CCN4CCCCC4CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
KMT2A Q03164 1/20 0.38
WDR5 P61964 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL8723621 0.85 NOS3 (0.44) MAPTNOS3NOS1LMNAPOLB
SCHEMBL8720598 0.83 NOS3 (0.42) MAPTNOS3NOS1POLB
SCHEMBL8721916 0.81 NOS3 (0.47) MAPTNOS3NOS1KMT2AALDH1A1
SCHEMBL8721897 0.81 NOS3 (0.43) MAPTNOS3NOS1LMNA
SCHEMBL8722143 0.79 NOS3 (0.47) MAPTNOS3NOS1
Hydrochloric Acid SCHEMBL8709283 0.79 NOS3 (0.52) MAPTNOS3NOS1LMNAPOLB
SCHEMBL8386958 0.78 NOS3 (0.42) MAPTNOS3NOS1LMNAPOLB
SCHEMBL7485164 0.78 MAPT (0.50) MAPTNOS3NOS1KMT2AWDR5
SCHEMBL8708647 0.78 NOS3 (0.51) MAPTNOS3NOS1ALDH1A1LMNA
SCHEMBL8383543 0.77 NOS3 (0.45) MAPTNOS3NOS1KMT2AALDH1A1

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
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed