SCHEMBL9257572

SCHEMBL9257572

O=C(O)C1(c2cccc(Cl)c2)C=CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CCR2 P41597 1/20 0.43
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
GRIN2B Q13224 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FADS1 O60427 1/20 0.38
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
EGFR P00533 1/20 0.37

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
SCHEMBL28174251 0.83 CCR2 (0.41) HSD11B1MEN1KMT2ARAB9ANPC1
SCHEMBL21333901 0.77 HSD11B1 (0.39) HSD11B1MEN1KMT2ARAB9ANPC1
SCHEMBL31687681 0.75 MAPT (0.48) HSD11B1MEN1KMT2ARAB9ANPC1
SCHEMBL15542071 0.75 PARP1 (0.46) HSD11B1ALDH1A1CCR2HCAR3HCAR2
SCHEMBL301985 0.74 MEN1 (0.56) HSD11B1MEN1KMT2ARAB9ANPC1
SCHEMBL30424283 0.72 SLC6A3 (0.45) HSD11B1MEN1KMT2AMAPTALDH1A1
SCHEMBL3110960 0.71 AKR1C1 (0.65) HSD11B1MEN1KMT2ACCR2SLC6A4
SCHEMBL9466663 0.71 AKR1C1 (0.59) HSD11B1MEN1KMT2ACCR2HCAR3
Benzene SCHEMBL28354853 0.70 HDAC4 (0.41) HSD11B1KMT2ALMNAHTT
SCHEMBL27498742 0.70 HCAR3 (0.41) HSD11B1MEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0490772-B1 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them ADIR (FR) 1995-07-26 EP disclosed
EP-0490772-A1 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-06-17 EP disclosed