SCHEMBL6571723

SCHEMBL6571723

CN=C(NC#N)NCc1[nH]c(=O)[nH]c(=O)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 8/20 0.46
▸ HRH4 Q9H3N8 9/20 0.38
▸ HRH3 Q9Y5N1 7/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ SLC22A2 O15244 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ATP4A P20648 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ATP4B P51164 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6571718 0.76 TYMP (0.40) TYMP
SCHEMBL6572722 0.73 TYMP (0.45) TYMP
SCHEMBL3046373 0.71 TYMP (0.59) TYMP
SCHEMBL6572720 0.70 ALDH1A1 (0.40) TYMPSMN1; SMN2
SCHEMBL6572718 0.70 ALDH1A1 (0.40) TYMPSMN1; SMN2
Hydrochloric Acid SCHEMBL6572739 0.70 TYMP (0.54) TYMP
SCHEMBL6572715 0.69 TYMP (0.57) TYMPCYP2C19
SCHEMBL6571732 0.69 TYMP (0.53) TYMPLMNA
Hydrochloric Acid SCHEMBL1691079 0.68 TYMP (0.51) TYMP
Hydrochloric Acid SCHEMBL1682940 0.67 TYMP (0.59) TYMP

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
EP-0884051-B1 CANCEROUS METASTASIS INHIBITORS CONTAINING URACIL DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 2004-12-15 — — EP 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-6159969-A Uracil derivatives, and antitumor effect potentiator and antitumor agent containing the same TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-12-12 — — US disclosed
EP-0884051-A1 CANCEROUS METASTASIS INHIBITORS CONTAINING URACIL DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1998-12-16 — — EP disclosed
US-5744475-A 4-N-HET-METHYLURACIL DERIVATIVES; THYMIDINE PHOSPHORYLASE INHIBITORS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1998-04-28 — — US disclosed
EP-0763529-A1 URACIL DERIVATIVES, AND ANTITUMOR EFFECT POTENTIATOR AND ANTITUMOR AGENT CONTAINING THE SAME TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1997-03-19 — — EP disclosed
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