SCHEMBL4020190

SCHEMBL4020190

CC(=O)C(Br)c1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.53
FFAR1 O14842 2/20 0.53
PBRM1 Q86U86 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
NOD2 Q9HC29 1/20 0.48
MGAM O43451 3/20 0.48
GAA P10253 3/20 0.48
SI P14410 3/20 0.48
MGAM2 Q2M2H8 3/20 0.48
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.48
SRC P12931 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NR4A2 P43354 1/20 0.45
CREBBP Q92793 1/20 0.45

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
SCHEMBL28853261 0.85 MEN1 (0.56) GPR84FFAR1KMT2AMEN1NOD2
SCHEMBL8234032 0.80 GPR84 (0.53) GPR84FFAR1PBRM1KMT2AMEN1
SCHEMBL8133070 0.79 GPR84 (0.45) GPR84FFAR1PBRM1KMT2AMEN1
SCHEMBL5645874 0.78 GPR84 (0.62) GPR84FFAR1KMT2AMEN1HTR2A
SCHEMBL27419501 0.78 KMT2A (0.50) GPR84FFAR1PBRM1KMT2AMEN1
SCHEMBL7615301 0.77 GPR84 (0.67) GPR84FFAR1KMT2AMEN1HTR2A
SCHEMBL5513681 0.77 GPR84 (0.67) GPR84FFAR1PBRM1KMT2AMEN1
SCHEMBL18135253 0.76 GPR84 (0.53) GPR84FFAR1PBRM1KMT2AMEN1
SCHEMBL6283244 0.76 GPR84 (0.59) GPR84FFAR1KMT2AMEN1NOD2
SCHEMBL27514167 0.76 GPR84 (0.61) GPR84FFAR1PBRM1KMT2AMEN1

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
EP-1940787-A4 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF LANKENAU INST MEDICAL RES (US) 2009-07-01 EP disclosed
EP-1940787-A1 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF Lankenau Institute for Medical Research (US) 2008-07-09 EP disclosed
WO-2007050963-A1 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2007-05-03 WO disclosed