SCHEMBL6484199

SCHEMBL6484199

Clc1c[c]ccc1OCc1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
IDO1 P14902 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
TP53 P04637 2/20 0.39
PARP10 Q53GL7 1/20 0.38
HPGD P15428 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
FFAR1 O14842 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
LMNA P02545 2/20 0.34
SLC6A4 P31645 1/20 0.34
HTR6 P50406 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 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
SCHEMBL4965696 0.82 MAPT (0.50) ALDH1A1IDO1SMN1; SMN2HTTNPC1
SCHEMBL28102421 0.79 PLAU (0.45) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL1446254 0.78 HPGD (0.46) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL28102437 0.75 CCR5 (0.42) IDO1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL18171756 0.74 ALDH1A1 (0.66) ALDH1A1IDO1SMN1; SMN2HTTNPC1
SCHEMBL8807329 0.73 IDO1 (0.46) ALDH1A1IDO1SMN1; SMN2HTTNPC1
SCHEMBL693871 0.73 SYK (0.54) ALDH1A1SMN1; SMN2MAPTHPGDFFAR1
SCHEMBL30342568 0.70 ALDH1A1 (0.57) ALDH1A1IDO1SMN1; SMN2HTTNPC1
SCHEMBL2292785 0.70 ALDH1A1 (0.57) ALDH1A1IDO1SMN1; SMN2HTTNPC1
SCHEMBL693190 0.70 MRGPRX4 (0.51) IDO1FFAR4MRGPRX4FFAR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881737-B2 Substituted triazinyl acrylamide derivatives and methods of use AMGEN INC. (US) 2005-04-19 US disclosed
EP-1390354-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS Amgen Inc. (US) 2004-02-25 EP disclosed
WO-2002083653-A1 TRIAZINYL ACRYLAMIDE DERIVATIVES AS KINASE INHIBITORS AMGEN INC. (US) 2002-10-24 WO disclosed