SCHEMBL8613429

SCHEMBL8613429

Fc1c(OCc2ccccc2)ccc(-c2ccc(Br)cc2)c1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 1/20 0.44
USP25 Q9UHP3 1/20 0.44
HTT P42858 1/20 0.43
CCR5 P51681 3/20 0.42
SLC6A4 P31645 1/20 0.42
LMNA P02545 2/20 0.42
PTGER1 P34995 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.41
LRRK2 Q5S007 1/20 0.41
GSTP1 P09211 1/20 0.41
KDM1A O60341 4/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41

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
SCHEMBL8616654 0.99 USP28 (0.43) USP28USP25HTTCCR5SLC6A4
SCHEMBL8616112 0.91 USP28 (0.45) USP28USP25HTTCCR5SLC6A4
SCHEMBL8613441 0.90 KDM1A (0.40) USP28USP25HTTPTGER1RAB9A
SCHEMBL8613851 0.90 PTGER1 (0.44) USP28USP25HTTCCR5SLC6A4
SCHEMBL8640424 0.87 MAOB (0.43) USP28USP25HTTCCR5SLC6A4
SCHEMBL8613340 0.87 ERN1 (0.41) USP28USP25PTGER1RAB9AGSTP1
SCHEMBL8616558 0.87 GSTP1 (0.56) LMNARAB9AGSTP1RXRARXRB
SCHEMBL8617922 0.86 KDM1A (0.40) PTGER1RAB9AGSTP1KDM1ARXRA
SCHEMBL8612028 0.85 FEN1 (0.40) PTGER1RAB9AGSTP1KDM1ARXRA
SCHEMBL8613871 0.85 CYP11B1 (0.41) PTGER1RAB9ALRRK2KDM1ARXRA

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-0665836-B1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AG (DE) 1998-04-29 EP disclosed
WO-1994010152-A1 BIFUNCTIONAL INTERMEDIATES FOR USE IN THE MANUFACTURE OF LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 WO disclosed