SCHEMBL20079989

SCHEMBL20079989

COCc1ccc2oncc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
TRPM5 Q9NZQ8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA2 P00918 1/20 0.37
PTPN1 P18031 1/20 0.35
FAAH O00519 1/20 0.35
SYK P43405 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
BRD4 O60885 1/20 0.33
PDK2 Q15119 1/20 0.33
MAOA P21397 1/20 0.33
DYRK1A Q13627 1/20 0.33
CYP2C8 P10632 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8179979 0.80 CYP1A2 (0.44) LMNATP53TRPM5KDM4EHSD17B10
SCHEMBL9979773 0.80 CYP3A4 (0.49) LMNATP53TRPM5KDM4EHSD17B10
SCHEMBL1068060 0.79 LMNA (0.33) LMNATP53TRPM5
SCHEMBL9976426 0.77 LMNA (0.39) LMNATP53TRPM5KDM4EHSD17B10
SCHEMBL22955088 0.77 TRPM5 (0.39) TRPM5KDM4ESYKBRD4
SCHEMBL9343342 0.77 CNR1 (0.39) TRPM5PDK2POLB
SCHEMBL6184266 0.77 TRPM5 (0.38) TRPM5
SCHEMBL27304325 0.77 TRPM5 (0.38) TRPM5CA2BRD4
SCHEMBL3290937 0.76 ALDH1A1 (0.44) LMNATP53TRPM5KDM4EHSD17B10
SCHEMBL115421 0.76 LMNA (0.40) LMNATP53TRPM5KDM4EHSD17B10

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-2751076-B1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES MEDIMMUNE LTD (GB) 2018-04-25 EP disclosed