SCHEMBL2930554

SCHEMBL2930554

O=C1NC(=O)C(C(OCc2ccccc2)c2ccccc2)C(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.54
SLC6A4 P31645 3/20 0.54
SLC6A3 Q01959 3/20 0.54
ALDH1A1 P00352 3/20 0.46
KDM4C Q9H3R0 1/20 0.46
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 2/20 0.37
MMP13 P45452 1/20 0.37
PPARG P37231 1/20 0.36
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
MMP3 P08254 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
SCHEMBL9270476 0.78 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4C
SCHEMBL2163156 0.71 ALDH1A1 (0.53) ALDH1A1KDM4CMEN1KMT2AMMP2
SCHEMBL7003557 0.71 ALDH1A1 (0.53) ALDH1A1KDM4CMEN1CYP2C9CYP2C19
SCHEMBL8952292 0.70 BCHE (0.43) ALDH1A1MMP2MMP13PPARGMAPT
Hydrochloric Acid SCHEMBL15794639 0.69 SLC6A4 (0.97) SLC6A2SLC6A4SLC6A3IDO1
SCHEMBL11816671 0.68 ALDH1A1 (0.50) ALDH1A1KDM4CMMP2MAPTLMNA
SCHEMBL17358739 0.66 ALDH1A1 (0.51) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4C
SCHEMBL5836429 0.66 ALDH1A1 (0.48) ALDH1A1MMP2MMP13PPARGMAPT
SCHEMBL790660 0.65 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1SLC1A3
SCHEMBL8417301 0.65 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001060985-A9 COMPOSITIONS, METHODS AND KITS RELATING TO URIDINE PHOSPHORYLASE GENE MUTATIONS UNIV YALE (US) 2002-10-31 WO claimed
WO-2001060985-A2 COMPOSITIONS, METHODS AND KITS RELATING TO URIDINE PHOSPHORYLASE GENE MUTATIONS YALE UNIVERSITY (US) 2001-08-23 WO claimed
EP-1651674-B1 UPS AS MODIFIERS OF THE BETA CATENIN PATHWAY AND METHODS OF USE EXELIXIS INC (US) 2010-09-29 EP disclosed
US-20060037088-A1 Gene expression levels as predictors of chemoradiation response of cancer BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2006-02-16 US disclosed
WO-2001060985-A9 COMPOSITIONS, METHODS AND KITS RELATING TO URIDINE PHOSPHORYLASE GENE MUTATIONS UNIV YALE (US) 2002-10-31 WO disclosed
WO-2001060985-A2 COMPOSITIONS, METHODS AND KITS RELATING TO URIDINE PHOSPHORYLASE GENE MUTATIONS YALE UNIVERSITY (US) 2001-08-23 WO disclosed