SCHEMBL7972739

SCHEMBL7972739

COc1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3ccccc3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AKR1C3 P42330 1/20 0.43
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
PRKDC P78527 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2A P28223 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR3A P46098 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
SCHEMBL6360325 0.89 MAPT (0.43) MAPTRAB9AL3MBTL1AKR1C3KMT2A
SCHEMBL7967548 0.79 MAPT (0.41) MAPTRAB9AL3MBTL1AKR1C3KMT2A
SCHEMBL8107555 0.79 TMEM97 (0.43) MAPTRAB9AKMT2AKDM4EALDH1A1
SCHEMBL6687407 0.77 TMEM97 (0.44) MAPTRAB9AKMT2AKDM4EALDH1A1
SCHEMBL6536500 0.74 ATM (0.34) L3MBTL1ALDH1A1SIGMAR1
SCHEMBL2208450 0.74 AKR1C3 (0.68) MAPTRAB9AL3MBTL1AKR1C3KMT2A
SCHEMBL9113335 0.73 MAPT (0.36) MAPTRAB9AKMT2AKDM4EALDH1A1
SCHEMBL4349056 0.72 AKR1C3 (0.66) MAPTRAB9AL3MBTL1AKR1C3KMT2A
SCHEMBL28097254 0.71 AKR1C3 (0.44) MAPTRAB9AL3MBTL1AKR1C3KMT2A
SCHEMBL7456709 0.70 KMT2A (0.42) MAPTRAB9AKMT2AKDM4EALDH1A1

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-2001012619-A1 RAPID FADING PHOTO-RESPONSIVE MATERIALS JAMES ROBINSON LIMITED (GB) 2001-02-22 WO disclosed