SCHEMBL5867368

SCHEMBL5867368

O=Cc1ccc(Br)cc1F.OB(O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.47
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
ERN1 O75460 3/20 0.40
KDM4E B2RXH2 1/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
TTR P02766 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPV1 Q8NER1 1/20 0.36
EGFR P00533 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
SCHEMBL5867371 0.83 MGLL (0.53) CA1CA2TSHRERN1KDM4E
SCHEMBL20465744 0.80 ERN1 (0.52) ALDH1A1ERN1CYP2A6DGAT1
SCHEMBL19429 0.80 ERN1 (0.52) ALDH1A1ERN1CYP2A6DGAT1
SCHEMBL155586 0.77 KDM4E (0.48) ENPP2CA1CA2ERN1KDM4E
SCHEMBL31559956 0.77 KDM4E (0.48) ENPP2CA1CA2ERN1KDM4E
SCHEMBL18384417 0.77 KDM4E (0.48) ENPP2CA1CA2ERN1KDM4E
SCHEMBL155661 0.73 TDP1 (0.61) LMNASMN1; SMN2KMT2AERN1TDP1
SCHEMBL5867419 0.72 KDM4E (0.50) ENPP2CA1CA2TSHRALDH1A1
SCHEMBL4552823 0.71 TDP1 (0.48) SMN1; SMN2ALDH1A1ERN1KDM4ETDP1
SCHEMBL28615862 0.71 TDP1 (0.53) LMNAKMT2AERN1TDP1

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
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed