SCHEMBL5501718

SCHEMBL5501718

BrCc1c(-c2ccccc2)ccc(-c2ccccc2)c1CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 2/20 0.44
TRPA1 O75762 1/20 0.43
TSHR P16473 1/20 0.43
BACE1 P56817 1/20 0.40
DPP4 P27487 4/20 0.39
ALOX5 P09917 1/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
BCL2L1 Q07817 1/20 0.39
CYP2A6 P11509 1/20 0.39
CSNK2A1 P68400 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
PTPN1 P18031 1/20 0.35
GSK3B P49841 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
ESR2 Q92731 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5376614 0.87 ALDH1A1 (0.48) ALDH1A1MAPK1TRPA1TSHRBACE1
SCHEMBL5598419 0.82 DPP4 (0.35) ALDH1A1MAPK1TRPA1TSHRDPP4
SCHEMBL14933420 0.80 ALDH1A1 (0.58) ALDH1A1MAPK1TRPA1TSHRBACE1
SCHEMBL5858344 0.80 DPP4 (0.47) ALDH1A1MAPK1TRPA1TSHRBACE1
SCHEMBL16359472 0.78 PDCD1 (0.44) ALDH1A1MAPK1TSHRDPP4HSD17B10
SCHEMBL5282536 0.78 CYP2A6 (0.56) ALDH1A1MAPK1DPP4CYP2A6CSNK2A1
SCHEMBL10989243 0.78 ALDH1A1 (0.45) ALDH1A1MAPK1TRPA1TSHRBACE1
SCHEMBL5499216 0.77 DPP4 (0.44) ALDH1A1MAPK1TRPA1TSHRDPP4
SCHEMBL10990692 0.77 ALOX5AP (0.37) ALDH1A1MAPK1TRPA1TSHRBACE1
SCHEMBL10972725 0.77 PDCD1 (0.43) ALDH1A1MAPK1TRPA1TSHRBACE1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022144899-A1 CHEMICALLY STABLE ION CONDUCTORS AND USES THEREOF TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2022-07-07 WO disclosed
EP-1425168-A4 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIV ROCHESTER (US) 2007-01-03 EP disclosed
US-7057009-B2 Crosslinking polyfluorene; molecular orientation UNIVERSITY OF ROCHESTER (US) 2006-06-06 US disclosed
EP-1425168-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS University of Rochester (US) 2004-06-09 EP disclosed
US-20030039838-A1 Light-emitting organic oligomer compositions UNIVERSITY OF ROCHESTER 2003-02-27 US disclosed
WO-2003008475-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIVERSITY OF ROCHESTER (US) 2003-01-30 WO disclosed