SCHEMBL11113719

SCHEMBL11113719

ClCCCNc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ABL1 P00519 1/20 0.47
▸ STK17A Q9UEE5 2/20 0.44
▸ STK17B O94768 1/20 0.44
▸ GRIN1 Q05586 6/20 0.44
▸ GRIN2B Q13224 6/20 0.44
▸ KCNH2 Q12809 3/20 0.43
▸ EPHX1 P07099 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ DHFR P00374 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA5A P35218 1/20 0.39

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
Hydrochloric Acid SCHEMBL4775737 0.98 MEN1 (0.47) MEN1MAPTKMT2AATML3MBTL1
Hydrochloric Acid SCHEMBL4775719 0.92 ABL1 (0.49) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL10888882 0.88 MEN1 (0.51) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL2522557 0.83 ALDH1A1 (0.52) MAPTABL1STK17ASTK17BEPHX2
SCHEMBL13665290 0.82 STK17A (0.57) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL6950384 0.82 ABL1 (0.63) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL11110739 0.82 ALDH1A1 (0.51) MEN1MAPTKMT2AATML3MBTL1
Hydrochloric Acid SCHEMBL6071168 0.82 ALDH1A1 (0.51) MAPTABL1STK17ASTK17BEPHX2
SCHEMBL11160314 0.81 MAPT (0.63) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL7793222 0.81 ALDH1A1 (0.59) MEN1MAPTKMT2AATML3MBTL1

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-0058868-B1 DERIVATIVES OF TETRAHYDROPYRIMIDINON, PROCESS FOR THEIR PREPARATION AND HERBICIDES CONTAINING THOSE DERIVATIVES AS ACTIVE PRODUCTS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-11 — — EP disclosed
US-4402731-A Herbicidally active novel substituted tetrahydropyrimidinones NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-09-06 — — US disclosed
US-4391827-A 3-(2-Hydroxy-4-(substituted)phenyl)-cycloalkanone and cycloalkanol analgesic agents and intermediates therefor PFIZER INC. (US) 1983-07-05 — — US disclosed
US-4306097-A 3-[2-Hydroxy-4-(substituted)phenyl]-cycloalkanol analgesic agents PFIZER INC. (US) 1981-12-15 — — US disclosed
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