SCHEMBL29501080

SCHEMBL29501080

O=c1c(Br)c(-c2ccccc2)oc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
KDM4E B2RXH2 5/20 0.65
CYP3A4 P08684 5/20 0.65
MEN1 O00255 4/20 0.65
LMNA P02545 3/20 0.65
ALOX15 P16050 2/20 0.65
MAPK1 P28482 2/20 0.65
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
TP53 P04637 2/20 0.65
DDR2 Q16832 1/20 0.65
CA12 O43570 1/20 0.65
ABCB1 P08183 1/20 0.65
CALM1 P0DP23 1/20 0.65
AR P10275 1/20 0.65
PKM P14618 1/20 0.65
CYP1B1 Q16678 1/20 0.65
CA9 Q16790 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
ABCG2 Q9UNQ0 2/20 0.61

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
SCHEMBL1534666 1.00 KMT2A (0.65) KMT2AKDM4ECYP3A4MEN1LMNA
SCHEMBL6825859 0.85 KMT2A (0.53) KMT2AKDM4ECYP3A4MEN1LMNA
SCHEMBL6977307 0.83 KDM4E (0.55) KMT2AKDM4ECYP3A4MEN1LMNA
SCHEMBL6982270 0.82 PTGS2 (0.59) KMT2AKDM4ECYP3A4MEN1LMNA
SCHEMBL6978811 0.82 PTGS1 (0.59) KMT2AKDM4ECYP3A4MEN1LMNA
SCHEMBL29349443 0.81 KMT2A (0.69) KMT2AKDM4ECYP3A4MEN1LMNA
SCHEMBL693914 0.81 KMT2A (0.69) KMT2AKDM4ECYP3A4MEN1LMNA
Xanthone SCHEMBL10420905 0.81 KDM4E (0.69) KMT2AKDM4ECYP3A4MEN1LMNA
SCHEMBL27940011 0.81 KDM4E (0.60) KMT2AKDM4ECYP3A4MEN1LMNA
SCHEMBL1534415 0.81 DDR2 (0.51) KMT2AKDM4ECYP3A4MEN1LMNA

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
CN-114380772-A Selenium-containing compound and application thereof 深圳福山生物科技有限公司 2022-04-22 CN disclosed