SCHEMBL18534286

SCHEMBL18534286

COC(=O)CCc1ccc(Br)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
HPGD P15428 1/20 0.46
TSHR P16473 2/20 0.45
EGFR P00533 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 3/20 0.42
IDO1 P14902 1/20 0.42
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 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
SCHEMBL16278189 0.84 CYP4F2 (0.46) HPGDEGFRKMT2AMEN1CYP1A2
SCHEMBL1524930 0.83 KDM4E (0.42) HPGDTSHRKMT2AMEN1CYP1A2
SCHEMBL30094494 0.83 KDM4E (0.42) HPGDTSHRKMT2AMEN1CYP1A2
SCHEMBL19900062 0.83 DGAT1 (0.39) CYP11B1CYP11B2TSHRRAB9ANPC1
SCHEMBL851581 0.82 MIF (0.44) CYP11B1CYP11B2TSHRKMT2AKDM4E
SCHEMBL19385660 0.81 CYP11B1 (0.49) CYP11B1CYP11B2TSHREGFRCYP1A2
SCHEMBL2786582 0.81 CYP11B1 (0.48) CYP11B1CYP11B2TSHRKMT2AKDM4E
SCHEMBL15849059 0.81 CYP11B1 (0.48) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL3515895 0.80 FFAR1 (0.55) HPGDTSHRL3MBTL1RAB9ANPC1
SCHEMBL25469622 0.78 HTT (0.51) CYP11B1CYP11B2KMT2AMEN1CYP1A2

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-2976346-B1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIV SHEFFIELD (GB) 2017-02-22 EP disclosed