SCHEMBL18500620

SCHEMBL18500620

CC(O)c1cccc(NI)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 1/20 0.50
LMNA P02545 3/20 0.49
TSHR P16473 1/20 0.46
EGFR P00533 1/20 0.44
PIK3CA P42336 1/20 0.44
UGT2B7 P16662 1/20 0.42
HSD11B1 P28845 1/20 0.42
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL8350765 0.82 MEN1 (0.62) MEN1KMT2AKDM4ELMNATSHR
SCHEMBL10914798 0.82 MEN1 (0.62) MEN1KMT2AKDM4ELMNATSHR
SCHEMBL20888511 0.81 KMT2A (0.41) MEN1KMT2AKDM4ELMNATSHR
SCHEMBL12368473 0.80 MEN1 (0.61) MEN1KMT2AKDM4ELMNATSHR
SCHEMBL20888509 0.79 MEN1 (0.40) MEN1KMT2AKDM4ELMNATSHR
SCHEMBL9331659 0.78 UGT2B7 (0.56) MEN1KMT2AKDM4ELMNAUGT2B7
SCHEMBL2812852 0.78 UGT2B7 (0.56) MEN1KMT2AKDM4ELMNAUGT2B7
SCHEMBL9331663 0.78 UGT2B7 (0.56) MEN1KMT2AKDM4ELMNAUGT2B7
SCHEMBL9334664 0.78 UGT2B7 (0.56) MEN1KMT2AKDM4ELMNAUGT2B7
SCHEMBL18355736 0.77 MEN1 (0.57) MEN1KMT2AKDM4ELMNATSHR

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-9566276-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2017-02-14 US disclosed