SCHEMBL3223946

SCHEMBL3223946

COC(=O)N1/C=C\c2ccccc2C(c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX4 Q99571 1/20 0.38
ATM Q13315 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADAM10 O14672 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL8211547 0.72 ATM (0.47) KIF11MEN1KMT2AP2RX4ATM
SCHEMBL3262109 0.71 KDM4E (0.47) KIF11MEN1KMT2AKDM4EALDH1A1
SCHEMBL3628702 0.68 P2RX4 (0.46) MEN1KMT2AP2RX4SMN1; SMN2
SCHEMBL31073550 0.64 KCNH2 (0.56) MEN1KMT2ASMN1; SMN2ADAM10MMP2
SCHEMBL2391310 0.62 HTT (0.40) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL31233183 0.62 MEN1 (0.52) KIF11MEN1KMT2ASLC6A2SLC6A4
SCHEMBL10756064 0.62 ATM (0.41) MEN1KMT2AP2RX4ATMSMN1; SMN2
SCHEMBL14523185 0.62 SCN9A (0.43) MEN1KMT2AATMSMN1; SMN2KDM4E
SCHEMBL10002512 0.61 RIPK1 (0.64) MEN1KMT2A
SCHEMBL19493611 0.61 RAB9A (0.62) MEN1KMT2AATMSMN1; SMN2ADAM10

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
WO-2010012812-A1 BENZAZEPINES AND BENZAZOCINES AS SIGMA-RECEPTOR LIGANDES Westfälische Wilhelms Universität Münster (DE) 2010-02-04 WO disclosed