SCHEMBL8990014

SCHEMBL8990014

CCCOc1nc2ccccc2n1N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
TSHR P16473 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TLR8 Q9NR97 2/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 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
SCHEMBL8990066 0.87 RAB9A (0.42) HTTSMN1; SMN2LMNATSHRNPSR1
SCHEMBL9285258 0.77 ALDH1A1 (0.59) HTTSMN1; SMN2LMNATSHRNPSR1
SCHEMBL7478340 0.71 ALDH1A1 (0.40) HTTSMN1; SMN2LMNATSHRNPSR1
SCHEMBL10869503 0.68 LMNA (0.52) HTTSMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL15228172 0.68 RAB9A (0.49) HTTSMN1; SMN2LMNANPSR1ALDH1A1
SCHEMBL13543523 0.67 RAB9A (0.54) HTTSMN1; SMN2LMNAHPGDL3MBTL1
SCHEMBL14974686 0.67 RAB9A (0.48) SMN1; SMN2LMNACYP1A2CYP2D6MAPK1
SCHEMBL15228167 0.65 TSHR (0.57) HTTSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL5712364 0.65 ALDH1A1 (0.59) HTTSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL7485545 0.64 ALDH1A1 (0.45) HTTSMN1; SMN2LMNATSHRNPSR1

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-5552426-A NERVOUS SYSTEM DISORDERS USING IMIDAZOLE DERIVITIVES ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed