SCHEMBL9429909

SCHEMBL9429909

FC(F)(F)c1nc(-c2ncn3c2nc(N2CCOCC2)c2ccccc23)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
USP2 O75604 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
HTT P42858 1/20 0.41
HDAC4 P56524 3/20 0.41
HDAC6 Q9UBN7 8/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
POLB P06746 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
METAP1 P53582 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
SCHEMBL7321094 0.82 GABRA1 (0.48) HTTPOLB
SCHEMBL9404342 0.80 ALDH1A1 (0.40) ALOX15CYP1A2CYP3A4USP2CYP2D6
SCHEMBL7321007 0.75 HTR4 (0.43) CYP1A2CYP3A4CYP2D6HTTPOLB
SCHEMBL9404311 0.72 GABRA1 (0.48)
SCHEMBL9404376 0.72 HTT (0.58) ALOX15TSHRHTTPOLBKDM4E
SCHEMBL7327105 0.71 GABRA1 (0.47)
SCHEMBL9404284 0.70 RXFP1 (0.49) ALOX15CYP1A2CYP2C19HTTPOLB
SCHEMBL9404286 0.69 GABRA1 (0.48)
SCHEMBL9404296 0.69 HTT (0.44) ALOX15HTTPOLBKDM4EMAPT
SCHEMBL9404490 0.67 OPRK1 (0.35) ALOX15CYP1A2CYP3A4USP2CYP2D6

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-5371080-A Central nervous system disorders NOVO NORDISK A/S 1994-12-06 US disclosed