SCHEMBL20079991

SCHEMBL20079991

CC(O)OC/C=C/c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.55
CHRNA4 P43681 2/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALOX5 P09917 3/20 0.48
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
LMNA P02545 1/20 0.46
TBXAS1 P24557 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
JUN P05412 1/20 0.45

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
SCHEMBL25584021 0.88 CHRNB2 (0.57) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL621130 0.80 CHRNB2 (0.68) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL621129 0.80 CHRNB2 (0.68) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL3017775 0.80 CHRNB2 (0.68) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL617909 0.80 CHRNB2 (0.68) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL617910 0.80 CHRNB2 (0.68) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL3017778 0.80 CHRNB2 (0.68) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL13699039 0.79 CHRNB2 (0.55) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL28450581 0.77 LMNA (0.53) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL13699212 0.76 CHRNB2 (0.54) CHRNB2CHRNA4MEN1KMT2ACHRNB4

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