SCHEMBL6014245

SCHEMBL6014245

NC(=O)c1cc2cc3c(cc2nc1N(C(N)=O)c1ccccc1)OCO3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.40
ALDH1A1 P00352 5/20 0.40
TP53 P04637 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
EDNRA P25101 2/20 0.38
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 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
SCHEMBL6014242 0.88 ALDH1A1 (0.46) TRPM8ALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL6014239 0.85 LMNA (0.43) TRPM8ALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL6014297 0.85 EDNRA (0.41) TRPM8ALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL6014298 0.84 TRPM8 (0.41) TRPM8ALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL6014262 0.81 TRPM8 (0.39) TRPM8ALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL6014277 0.76 LMNA (0.42) ALDH1A1TP53SMN1; SMN2MEN1MAPT
SCHEMBL6014281 0.76 LMNA (0.42) ALDH1A1TP53SMN1; SMN2MEN1MAPT
Urea SCHEMBL6014244 0.76 ALDH1A1 (0.49) ALDH1A1TP53SMN1; SMN2MEN1MAPT
SCHEMBL6014231 0.75 LMNA (0.42) ALDH1A1TP53SMN1; SMN2MEN1MAPT
SCHEMBL6014228 0.75 LMNA (0.42) ALDH1A1TP53SMN1; SMN2MEN1MAPT

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-2006128268-A1 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-12-07 WO claimed
WO-2006128268-A1 UREIDIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE ON THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-12-07 WO disclosed