SCHEMBL19984685

SCHEMBL19984685

N#Cc1ccc(C(c2ccccc2)C(O)I)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
OPRD1 P41143 2/20 0.45
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
CYP19A1 P11511 4/20 0.41
LSS P48449 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
EEF2K O00418 1/20 0.38

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
SCHEMBL19984902 0.84 MAOA (0.47) TSHRMAOBMAOACYP19A1CYP2D6
SCHEMBL19984820 0.82 LMNA (0.44) TSHRCYP2D6
SCHEMBL15617629 0.81 TSHR (0.46) TSHROPRD1MAOBMAOACYP19A1
SCHEMBL16771261 0.80 TSHR (0.54) TSHROPRD1MAOBMAOACYP19A1
SCHEMBL11603519 0.80 TSHR (0.54) TSHROPRD1MAOBMAOACYP19A1
SCHEMBL5664054 0.80 LSS (0.55) TSHROPRD1MAOBMAOACYP19A1
SCHEMBL13567491 0.77 LMNA (0.44) TSHROPRD1MAOBMAOACYP19A1
SCHEMBL29038977 0.76 CYP19A1 (0.63) TSHROPRD1MAOBMAOACYP19A1
SCHEMBL1343704 0.76 CYP19A1 (0.63) TSHROPRD1MAOBMAOACYP19A1
SCHEMBL12260185 0.75 OPRD1 (0.40) TSHROPRD1MAOBMAOACYP19A1

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