SCHEMBL10049649

SCHEMBL10049649

CCCCCCCCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccccc1C3(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PDK2 Q15119 2/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30

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
SCHEMBL23254671 0.88 CYP2C19 (0.33) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL134085 0.87 MEN1 (0.40) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL23254341 0.85
SCHEMBL13041967 0.82 LPL (0.44) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL20233471 0.81 PDK2 (0.36) SMN1; SMN2PDK2MMP2MMP9
SCHEMBL12443262 0.81 CNR1 (0.33) CNR1CNR2
SCHEMBL14735970 0.79 PDK2 (0.40) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6060722 0.79 PDK2 (0.40) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6060767 0.79 PDK2 (0.40) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6060780 0.79 PDK2 (0.40) MEN1KMT2AKDM4EMAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603540-B1 POLYMERS WITH CARBAZOLE STRUCTURAL UNITS MERCK PATENT GMBH (DE) 2021-04-21 EP disclosed
WO-2012019724-A1 POLYMERS WITH CARBAZOLE STRUCTURAL UNITS MERCK PATENT GMBH (DE) 2012-02-16 WO disclosed