SCHEMBL10429320

SCHEMBL10429320

NC(=O)c1ccnc(-c2ccc(OCc3ccccc3)c(C(F)(F)F)c2)c1N

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.47
MRGPRX4 Q96LA9 4/20 0.43
RXRA P19793 4/20 0.43
RXRB P28702 4/20 0.43
RXRG P48443 4/20 0.43
CTSS P25774 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
SYK P43405 1/20 0.41
LRRK2 Q5S007 3/20 0.40
PTGER1 P34995 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL10429369 0.83 GPR52 (0.45) S1PR1S1PR5
SCHEMBL10429358 0.79 PARP10 (0.55)
SCHEMBL27612935 0.73 CTSS (0.48) S1PR1MRGPRX4CTSSS1PR4S1PR3
SCHEMBL10429353 0.72 KDM4E (0.55) SYK
SCHEMBL1758364 0.72 IKBKB (0.47)
SCHEMBL16739630 0.71 CDC7 (0.52)
SCHEMBL10429348 0.71 CTSS (0.44) S1PR1MRGPRX4RXRARXRBRXRG
SCHEMBL656838 0.71 MRGPRX4 (0.50) S1PR1MRGPRX4RXRARXRBRXRG
SCHEMBL79709 0.70 RXRA (0.72) MRGPRX4RXRARXRBRXRGPTGER1
SCHEMBL10429335 0.70 LMNA (0.46) SYK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4920119-A XANTHINE OXIDASE INHIBITORS; CONTROL OR PREVENTION OF GOUT OR ISCHEMIA HOFFMANN-LA ROCHE INC. (US) 1990-04-24 US disclosed
EP-0274654-A2 1,2,3-Triazin-4(3H)-one derivatives, process for their preparation and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-07-20 EP disclosed