SCHEMBL28219977

SCHEMBL28219977

CC(c1cnc2ncccc2c1)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.41
NPC1 O15118 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
TP53 P04637 2/20 0.35
P4HB P07237 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 4/20 0.34
CYP2D6 P10635 4/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
KCNH2 Q12809 4/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
PIK3CA P42336 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL28860238 0.79 MET (0.47) METNPC1TP53MAPTSMN1; SMN2
SCHEMBL2611069 0.77 CCR1 (0.40) METTP53MAPT
Quinoline SCHEMBL28220135 0.77 MET (0.46) METNPC1TP53MAPTSMN1; SMN2
SCHEMBL13228790 0.72 ALDH1A1 (0.38) METNPC1TP53MAPTSMN1; SMN2
SCHEMBL13078796 0.69 TYR (0.37) METPIK3CAKDM4E
SCHEMBL974878 0.68 PIK3CA (0.43) NPC1ALOX5APFEN1TP53MAPT
SCHEMBL17071859 0.68 IDO1 (0.50) MAPTCYP3A4
SCHEMBL30411144 0.68 IDO1 (0.50) MAPTCYP3A4
SCHEMBL16154382 0.68 IDO1 (0.50) MAPTCYP3A4
SCHEMBL17071857 0.68 IDO1 (0.50) MAPTCYP3A4

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
CN-108137547-A It can be used as the heterocyclic compound of TNF α conditioning agent 百时美施贵宝公司 2018-06-08 CN disclosed