SCHEMBL5050820

SCHEMBL5050820

Nc1ccc(F)cc1CN(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LIN28A Q9H9Z2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CHRNA7 P36544 8/20 0.46
KCNA5 P22460 2/20 0.42
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SYK P43405 2/20 0.39
APP P05067 1/20 0.39
SLC1A5 Q15758 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL4474970 0.83 MAPT (0.59) MAPTSMN1; SMN2LIN28ATDP1KCNA5
SCHEMBL5052519 0.82 TDP1 (0.51) MAPTSMN1; SMN2LIN28ATDP1CHRNA7
SCHEMBL13955267 0.82 MAPT (0.47) MAPTSMN1; SMN2LIN28ATDP1CHRNA7
SCHEMBL5050033 0.79 CHRNA7 (0.49) MAPTSMN1; SMN2LIN28ATDP1CHRNA7
SCHEMBL13936660 0.79 MAPT (0.44) MAPTSMN1; SMN2LIN28ATDP1CHRNA7
Zinc Ion SCHEMBL30268708 0.79 SMN1; SMN2 (0.79) MAPTSMN1; SMN2LIN28ATDP1KCNA5
SCHEMBL138261 0.77 SMN1; SMN2 (0.83) MAPTSMN1; SMN2LIN28ATDP1KCNA5
Hydrochloric Acid SCHEMBL9905725 0.75 SMN1; SMN2 (0.79) MAPTSMN1; SMN2LIN28ATDP1KCNA5
SCHEMBL31533189 0.75 SMN1; SMN2 (0.79) MAPTSMN1; SMN2LIN28ATDP1KCNA5
SCHEMBL14357958 0.75 MAPT (0.79) MAPTSMN1; SMN2LIN28ATDP1KCNA5

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-7399639-B2 Sensors, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-07-15 US disclosed
US-20040224420-A1 Sensors, and methods of making and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-11-11 US disclosed