Sugi Predict

Sugi Predict / Compounds / SCHEMBL5203740

SCHEMBL5203740

SCHEMBL5203740

CC(C)n1c(-c2ccccc2)nc(OCc2ccc(F)cc2F)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ MAPK14 Q16539 14/20 0.41
▸ PTGER1 P34995 2/20 0.38
▸ MAOB P27338 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37

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
SCHEMBL5207651 0.89 PTGER1 (0.49) MAPK14PTGER1
SCHEMBL5203927 0.86 MAPK14 (0.49) MAPK14PTGER1MAOB
SCHEMBL5202766 0.86 MAPK14 (0.49) MAPK14PTGER1MAOB
SCHEMBL5204564 0.85 MAPK14 (0.44) MAPK14PTGER1MAOB
SCHEMBL5205590 0.81 MAOB (0.39) CYP1A1CYP1A2CYP1B1MAPK14PTGER1
SCHEMBL5202236 0.81 MAPK14 (0.48) MAPK14
SCHEMBL5207032 0.81 MAPK14 (0.47) CYP1A1CYP1A2CYP1B1MAPK14
SCHEMBL5202380 0.74 MAOB (0.42) MAPK14PTGER1MAOB
SCHEMBL3527353 0.73 MAPK14 (0.57) MAPK14
SCHEMBL5237979 0.73 MAPK14 (0.49) MAPK14

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
EP-1802590-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES Pharmacia & Upjohn Company LLC (US) 2007-07-04 — — EP disclosed
WO-2006040666-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES PHARMACIA & UPJOHN COMPANY LLC (US) 2006-04-20 — — WO disclosed