SCHEMBL19984778

SCHEMBL19984778

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
HIF1A Q16665 4/20 0.54
MAPK1 P28482 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
BRD4 O60885 1/20 0.48
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ADRB2 P07550 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL19984686 0.91 IDO1 (0.47) TSHRHIF1AMAPK1TDP1BRD4
SCHEMBL19984901 0.84 CNR2 (0.50) TSHRHIF1AMAPK1TDP1BRD4
SCHEMBL19984902 0.84 MAOA (0.47) TSHRHIF1AMAPK1TDP1BRD4
SCHEMBL19287471 0.79 TSHR (0.46) TSHRHIF1AMAPK1TDP1BRD4
SCHEMBL15617719 0.75 TSHR (0.54) TSHRHIF1AMAPK1TDP1BRD4
SCHEMBL19984820 0.74 LMNA (0.44) TSHRHIF1AMAPK1LMNAKDM4E
SCHEMBL1426754 0.73 TSHR (0.50) TSHRHIF1AMAPK1TDP1BRD4
SCHEMBL10654649 0.73 TSHR (0.50) TSHRHIF1AMAPK1TDP1BRD4
SCHEMBL3688149 0.73 TSHR (0.50) TSHRHIF1AMAPK1TDP1BRD4
SCHEMBL11408688 0.72 SLC6A3 (0.47) HIF1ATDP1BRD4LMNAADRB2

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