SCHEMBL19984686

SCHEMBL19984686

OC(I)C(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
TDO2 P48775 2/20 0.47
TSHR P16473 4/20 0.46
HIF1A Q16665 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 3/20 0.45
ADRA2A P08913 2/20 0.44
CYP2C19 P33261 2/20 0.44
CNR1 P21554 2/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NR1I2 O75469 1/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL19984778 0.91 TSHR (0.54) IDO1TDO2TSHRHIF1AMAPK1
SCHEMBL19984820 0.87 LMNA (0.44) TSHRHIF1AMAPK1ADRA2AKDM4E
SCHEMBL15617669 0.79 SLC6A2 (0.49) IDO1TDO2TSHRHIF1AMAPK1
SCHEMBL29001567 0.79 IDO1 (0.52) IDO1TDO2TSHRHIF1AMAPK1
SCHEMBL19984819 0.79 LMNA (0.44) TSHRHIF1AADRA2ACNR1KDM4E
SCHEMBL477349 0.78 IDO1 (0.54) IDO1TDO2TSHRSLC6A2SLC6A4
SCHEMBL477552 0.78 IDO1 (0.54) IDO1TDO2TSHRSLC6A2SLC6A4
SCHEMBL6874895 0.78 SLC6A2 (0.59) IDO1TDO2TSHRHIF1ASLC6A2
SCHEMBL477379 0.78 IDO1 (0.54) IDO1TDO2TSHRSLC6A2SLC6A4
SCHEMBL12153197 0.78 IDO1 (0.54) IDO1TDO2TSHRHIF1AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306986-B1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC (US) 2018-03-21 EP disclosed