SCHEMBL8964752

SCHEMBL8964752

CCCC1(CCC)c2ccccc2-c2cc3nc(-c4cc5c(cc4O)c4ccccc4n5CC)oc3cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.35
KMT2A Q03164 6/20 0.35
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
NPC1 O15118 2/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 2/20 0.35
ALOX15 P16050 1/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPK1 P28482 2/20 0.35
HBB P68871 1/20 0.35
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
KDM1A O60341 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
SCHEMBL8964836 0.86 CNR2 (0.31) KDM4EESR1ESR2CNR2
SCHEMBL8964873 0.83 MAPT (0.39) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL13327367 0.78 MAPT (0.43) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL8964550 0.77 RPS6KA3 (0.46) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL13327377 0.73 RAB9A (0.42) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL13327380 0.71 RAB9A (0.38) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL16477985 0.71 KDM4E (0.45) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL13327369 0.70 NPC1 (0.45) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL3289127 0.69 TP53 (0.30) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL16376456 0.67 MAPT (0.54) MAPTKMT2AKDM4EALDH1A1MEN1

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
US-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US claimed
US-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed