SCHEMBL8470425

SCHEMBL8470425

O=C1CNC(=O)N1c1cnccn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.37
KDM4E B2RXH2 2/20 0.35
SLC6A7 Q99884 1/20 0.35
P2RX7 Q99572 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
HTR1A P08908 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
AR P10275 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SORD Q00796 1/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN9A Q15858 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL29743114 0.79 RECQL (0.39) P4HTMKDM4ESLC6A7P2RX7EGLN2
SCHEMBL10372621 0.74 SMN1; SMN2 (0.55) KDM4EALDH1A1
SCHEMBL4344306 0.72 BCHE (0.43) P4HTMKDM4EEGLN2ALDH1A1SORD
SCHEMBL18058632 0.70 EGLN2 (0.40) EGLN2ARALDH1A1TAS2R8LMNA
SCHEMBL5767440 0.69 PIM1 (0.44) P4HTMKDM4EP2RX7HTR1AOPRM1
SCHEMBL9822943 0.68 NPC1 (0.45) KDM4EALDH1A1SORDLMNA
SCHEMBL27481595 0.67 HPGD (0.53) P4HTMKDM4ESLC6A7OPRM1ALDH1A1
SCHEMBL19540824 0.67 ADRB1 (0.52) KDM4EEGLN2ARALDH1A1L3MBTL1
SCHEMBL5900916 0.67 BCHE (0.52) KDM4EARALDH1A1TAS2R8LMNA
SCHEMBL5616510 0.67 HTT (0.56) P4HTMKDM4EALDH1A1LMNA

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-6004963-A TUMOR NECROSIS FACTOR RELEASE INHIBITORS; IMMUNOMODULATORS GRUENENTHAL GMBH (DE) 1999-12-21 US disclosed