SCHEMBL6014298

SCHEMBL6014298

NC(=O)Cc1cc2cc3c(cc2nc1N(C(N)=O)c1ccccc1)OCO3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.41
EDNRA P25101 1/20 0.36
ALDH1A1 P00352 7/20 0.36
KMT2A Q03164 5/20 0.36
HPGD P15428 5/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 4/20 0.36
TP53 P04637 2/20 0.36
MAPK1 P28482 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 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
SCHEMBL6014245 0.84 TRPM8 (0.40) TRPM8EDNRAALDH1A1KMT2AHPGD
SCHEMBL6014262 0.80 TRPM8 (0.39) TRPM8EDNRAALDH1A1KMT2AHPGD
SCHEMBL6014242 0.80 ALDH1A1 (0.46) TRPM8EDNRAALDH1A1KMT2AHPGD
SCHEMBL6014239 0.79 LMNA (0.43) TRPM8ALDH1A1KMT2AHPGDKDM4E
SCHEMBL6014297 0.79 EDNRA (0.41) TRPM8EDNRAALDH1A1KMT2AKDM4E
SCHEMBL6014250 0.74 LMNA (0.41) ALDH1A1KMT2AHPGDKDM4ESMN1; SMN2
SCHEMBL6014256 0.71 LMNA (0.43) ALDH1A1KMT2AHPGDKDM4ESMN1; SMN2
SCHEMBL6014294 0.70 KMT2A (0.46) ALDH1A1KMT2AHPGDKDM4ESMN1; SMN2
SCHEMBL6014277 0.70 LMNA (0.42) ALDH1A1KMT2AHPGDKDM4ESMN1; SMN2
SCHEMBL6014281 0.70 LMNA (0.42) ALDH1A1KMT2AHPGDKDM4ESMN1; SMN2

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