SCHEMBL7029009

SCHEMBL7029009

CCC(CC)(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.49
ATM Q13315 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 2/20 0.47
AHR P35869 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
FFAR1 O14842 1/20 0.46
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2A P28223 5/20 0.44
HTR1A P08908 4/20 0.44
HTR6 P50406 2/20 0.44
HTR2C P28335 2/20 0.42

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
SCHEMBL13611510 0.87 GPR84 (0.47) GPR84ATMMEN1KMT2AMAPT
SCHEMBL27663377 0.84 GPR84 (0.43) GPR84ATMMEN1KMT2AMAPT
SCHEMBL6091133 0.84 NR4A2 (0.46) GPR84ATMMEN1KMT2AMAPT
SCHEMBL19059561 0.83 GPR84 (0.47) GPR84ATMMEN1KMT2AMAPT
SCHEMBL8402932 0.81 GPR84 (0.50) GPR84ATMMEN1KMT2AMAPT
SCHEMBL5851463 0.81 GPR84 (0.47) GPR84ATMMEN1KMT2AMAPT
SCHEMBL30969153 0.80 GPR84 (0.46) GPR84ATMMEN1KMT2AMAPT
SCHEMBL18923935 0.80 GPR84 (0.46) GPR84ATMMEN1KMT2AMAPT
SCHEMBL25439220 0.79 MEN1 (0.46) GPR84ATMMEN1KMT2AMAPT
SCHEMBL29611302 0.78 HTR2A (0.47) GPR84ATMMEN1KMT2AMAPT

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-1328513-A2 DIINDOLYLMETHANE AND C-SUBSTITUTED DIINDOLYLMETHANE COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE CANCERS The Texas A & M University System (US) 2003-07-23 EP claimed
WO-2002028832-A2 DIINDOLYLMETHANE AND C-SUBSTITUTED DIINDOLYLMETHANE COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE CANCERS THE TEXAS A & M UNIVERSITY SYSTEM (US) 2002-04-11 WO claimed