SCHEMBL4048433

SCHEMBL4048433

CS(=O)(=O)c1ccc(-c2cnc(COC3CCNCC3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.41
PLAT P00750 1/20 0.38
KDM1A O60341 1/20 0.36
PTGS1 P23219 8/20 0.36
PTGS2 P35354 6/20 0.36
FAAH O00519 1/20 0.36
ATR Q13535 1/20 0.36
IKBKB O14920 2/20 0.35
CHUK O15111 2/20 0.35
AKT1 P31749 1/20 0.35
ROCK1 Q13464 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL3981166 0.86 PTGS2 (0.41) PLATKDM1APTGS1PTGS2FAAH
SCHEMBL3977929 0.84 CYP4F2 (0.41) RORCPLATKDM1APTGS1PTGS2
SCHEMBL4053994 0.82 GPR119 (0.42) RORCATR
SCHEMBL4048443 0.79 RORC (0.47) RORCPLATKDM1APTGS1PTGS2
SCHEMBL13690547 0.78 GPR119 (0.57)
SCHEMBL4051113 0.77 GPR119 (0.60) RORC
SCHEMBL4059095 0.76 SMN1; SMN2 (0.45) RORC
SCHEMBL4050547 0.76 KDM1A (0.49) KDM1APTGS1PTGS2IKBKBCHUK
SCHEMBL4056907 0.74 TPH1 (0.47) PLATKDM1APTGS1PTGS2FAAH
SCHEMBL14640643 0.72 GPR119 (0.48) PLAT

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
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed