SCHEMBL25837652

SCHEMBL25837652

COc1ccc(C2(c3ccc(N4CCCCC4)cc3)C=Cc3c4c(c5cc(-c6ccc(N7CCOCC7)cc6)c(OC)cc5c3O2)-c2ccccc2C4(CSC)CSC)cc1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FYN P06241 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
S1PR1 P21453 1/20 0.30
ACHE P22303 1/20 0.30
AKT1 P31749 1/20 0.30
ADAM17 P78536 1/20 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
SCHEMBL25836580 0.88 PRKDC (0.34) PRKDCMEN1KMT2AKDM4ENPC1
SCHEMBL25836574 0.88 PRKDC (0.34) PRKDCMEN1KMT2AKDM4ENPC1
SCHEMBL13868684 0.87 AKT1 (0.35) PRKDCMEN1KMT2AKDM4ENPC1
SCHEMBL25599864 0.85 RAB9A (0.34) PRKDCMEN1KMT2AKDM4ENPC1
SCHEMBL13868715 0.85 AKT1 (0.34) PRKDCMEN1KMT2AKDM4ENPC1
SCHEMBL25838265 0.84 ACHE (0.31) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL10292860 0.83 PRKDC (0.34) PRKDCMEN1KMT2AKDM4ENPC1
SCHEMBL13868628 0.83 PRKDC (0.34) PRKDCMEN1KMT2AKDM4ENPC1
SCHEMBL13868685 0.83 PRKDC (0.34) PRKDCMEN1KMT2AKDM4ENPC1
SCHEMBL13868665 0.83 MMP2 (0.34) PRKDCMEN1KMT2AKDM4ENPC1

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-2023136213-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-20 WO disclosed