SCHEMBL11080962

SCHEMBL11080962

CC(N)C(N)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
ALDH1A1 P00352 2/20 0.40
GRM4 Q14833 1/20 0.40
PTGS2 P35354 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 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
SCHEMBL8182080 0.83 ENPP2 (0.48) ENPP2AKR1C3AKR1C2ALDH1A1GRM4
SCHEMBL311851 0.83 ENPP2 (0.48) ENPP2AKR1C3AKR1C2ALDH1A1GRM4
SCHEMBL14211437 0.83 ENPP2 (0.48) ENPP2AKR1C3AKR1C2ALDH1A1GRM4
Hydrochloric Acid SCHEMBL14120652 0.81 ENPP2 (0.46) ENPP2AKR1C3AKR1C2ALDH1A1GRM4
Hydrochloric Acid SCHEMBL14121049 0.81 ENPP2 (0.46) ENPP2AKR1C3AKR1C2ALDH1A1GRM4
Hydrochloric Acid SCHEMBL14157349 0.81 ENPP2 (0.46) ENPP2AKR1C3AKR1C2ALDH1A1GRM4
SCHEMBL8954423 0.80 LMNA (0.53) ENPP2AKR1C3AKR1C2ALDH1A1GRM4
SCHEMBL13868984 0.80 LMNA (0.53) ENPP2AKR1C3AKR1C2ALDH1A1GRM4
SCHEMBL18185778 0.80 LMNA (0.53) ENPP2AKR1C3AKR1C2ALDH1A1GRM4
SCHEMBL7866855 0.78 ENPP2 (0.52) ENPP2AKR1C3AKR1C2ALDH1A1PTGS2

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
EP-0024776-B1 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1984-12-27 EP disclosed
US-4322421-A 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1982-03-30 US disclosed
US-4261995-A DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE SYNTEX (U.S.A.) INC. (US) 1981-04-14 US disclosed
EP-0024776-A1 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives SYNTEX (U.S.A.) INC. (US) 1981-03-11 EP disclosed