SCHEMBL18401347

SCHEMBL18401347

CCCC(C)Nc1nc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.60
TRPC3 Q13507 1/20 0.60
TRPC4 Q9UBN4 1/20 0.60
TRPC5 Q9UL62 1/20 0.60
SMN1; SMN2 Q16637 6/20 0.49
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
ALDH1A1 P00352 3/20 0.49
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 1/20 0.48
UTS2R Q9UKP6 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.47
DDAH1 O94760 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 2/20 0.45
KLF5 Q13887 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL11989038 0.80 ALDH1A1 (0.61) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL5133337 0.78 LMNA (0.53) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL22619945 0.75 BCHE (1.00) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL8464091 0.74 BCHE (0.82) BCHETRPC3TRPC4TRPC5SMN1; SMN2
Hydrochloric Acid SCHEMBL23295188 0.74 BCHE (0.97) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL12472842 0.74 BCHE (0.71) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL19733290 0.74 ALDH1A1 (0.55) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL989750 0.73 BCHE (0.60) BCHETRPC3TRPC4TRPC5SMN1; SMN2
SCHEMBL6756155 0.73 TAAR1 (0.56) SMN1; SMN2RAB9ANPC1ALDH1A1DDAH1
SCHEMBL8779898 0.73 LMNA (0.59) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA

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-9550000-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-01-24 US disclosed