SCHEMBL6948080

SCHEMBL6948080

Cn1c(=O)[nH]c(Cl)c(Cl)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ADORA2B P29275 3/20 0.39
ADORA2A P29274 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA1 P30542 1/20 0.39
APAF1 O14727 1/20 0.39
CASP6 P55212 1/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
PABPC1 P11940 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
KDM4E B2RXH2 5/20 0.37
RXFP1 Q9HBX9 2/20 0.36
NPC1 O15118 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL25979886 0.79 MEN1 (0.42) MEN1KMT2AADORA2BADORA2AADORA3
SCHEMBL25979875 0.79 MEN1 (0.39) MEN1KMT2AADORA2BADORA2AADORA3
SCHEMBL25980042 0.77 TYMP (0.40) MEN1KMT2AADORA2BADORA2AADORA3
SCHEMBL27384925 0.77 ADORA2B (0.37) MEN1KMT2AADORA2BADORA2AADORA3
SCHEMBL11421064 0.74 KDM4E (0.37) MEN1KMT2AADORA2BADORA2AADORA3
SCHEMBL25979888 0.73 KDM4E (0.36) MEN1KMT2AADORA2BADORA2AADORA3
SCHEMBL25980055 0.73 KDM4E (0.36) MEN1KMT2AADORA2BADORA2AADORA3
SCHEMBL25980038 0.73 KDM4E (0.36) MEN1KMT2AADORA2BADORA2AADORA3
SCHEMBL25980050 0.71 KMT2A (0.35) MEN1KMT2AADORA2BADORA2AADORA3
SCHEMBL2672249 0.70 P2RX3 (0.33) MEN1KMT2AADORA2BADORA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150592-A2 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D.E. SHAW RESEARCH, LLC (US) 2023-08-10 WO disclosed
EP-0763529-B1 URACIL DERIVATIVES, AND ANTITUMOR EFFECT POTENTIATOR AND ANTITUMOR AGENT CONTAINING THE SAME TAIHO PHARMACEUTICAL CO LTD (JP) 2003-07-23 EP disclosed
US-6255314-B1 Cancerous metastasis inhibitors containing uracil derivatives TAIHO CHARMACEUTICAL CO., LTD. (JP) 2001-07-03 US disclosed
US-5744475-A 4-N-HET-METHYLURACIL DERIVATIVES; THYMIDINE PHOSPHORYLASE INHIBITORS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1998-04-28 US disclosed