SCHEMBL10279934

SCHEMBL10279934

O=C(O)c1cc(O)c2cc(I)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.59
TPMT P51580 3/20 0.45
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CA3 P07451 1/20 0.45
SELL P14151 1/20 0.45
HPGD P15428 1/20 0.45
SELP P16109 1/20 0.45
FUT4 P22083 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
SCHEMBL1681429 0.81 PRMT1 (0.63) PRMT1CA12CA1CA2CA7
SCHEMBL30220366 0.79 PRMT1 (0.59) PRMT1CA12CA1CA2CA7
SCHEMBL5735509 0.79 PRMT1 (0.59) PRMT1CA12CA1CA2CA7
SCHEMBL2184909 0.79 PRMT1 (0.59) PRMT1TPMTCA12CA1CA2
SCHEMBL15006668 0.79 PRMT1 (0.59) PRMT1CA12CA1CA2CA7
SCHEMBL27619808 0.79 PRMT1 (0.59) PRMT1TPMTCA12CA1CA2
SCHEMBL741721 0.79 PRMT1 (0.59) PRMT1TPMTCA12CA1CA2
SCHEMBL163553 0.76 PRMT1 (0.56) PRMT1CA12CA1CA2CA7
SCHEMBL852419 0.75 TPMT (0.60) TPMTCA12CA1CA2CA7
SCHEMBL32660903 0.75 NQO2 (0.54) PRMT1MAPTKDM4EALDH1A1HPGD

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-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed