SCHEMBL12153175

SCHEMBL12153175

FC(F)c1ccc(N2CCC(C=C(Br)Br)CC2)nc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ HRH3 Q9Y5N1 5/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ ACACB O00763 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SCD O00767 1/20 0.33
▸ LCAT P04180 1/20 0.33
▸ OGA O60502 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
SCHEMBL1734816 0.79 KDM4E (0.60) KDM4ELMNAABL1HRH3KMT2A
SCHEMBL2617748 0.71 PLD1 (0.49) KDM4EHRH3KMT2ACYP3A4GPR119
Hydrochloric Acid SCHEMBL2119097 0.70 PLD1 (0.47) KDM4EHRH3KMT2ACYP3A4GPR119
SCHEMBL17538374 0.69 KDM4E (0.57) KDM4ELMNAABL1HRH3KMT2A
SCHEMBL15247289 0.67 LCAT (0.46) LMNAHRH3MAPTACACBTP53
SCHEMBL2122299 0.67 GPR119 (0.54) LMNAKMT2AMAPTGPR119SMN1; SMN2
SCHEMBL30893593 0.67 GPR119 (0.54) LMNAKMT2AMAPTGPR119SMN1; SMN2
SCHEMBL18350234 0.66 DPP4 (0.35) KDM4ELMNAABL1HRH3MAPT
SCHEMBL10141652 0.66 LCAT (0.47) HRH3MAPTACACBGPR119LCAT
SCHEMBL13012217 0.65 KDM4E (0.44) KDM4EHRH3KMT2AGPR119SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 — — EP disclosed
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