SCHEMBL21711252

SCHEMBL21711252

O=C(Oc1c(I)cc(I)cc1I)c1ccc(C(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.34
▸ SENP1 Q9P0U3 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MGLL Q99685 1/20 0.31
▸ PTPN2 P17706 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ CYP1A2 P05177 2/20 0.30
▸ CYP2C9 P11712 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA9 Q16790 1/20 0.30

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
SCHEMBL317627 0.82 PTPN2 (0.44) KMT2AALDH1A1HPGDMGLLPTPN2
SCHEMBL21711270 0.81 KMT2A (0.33) KMT2AMAPK1POLB
SCHEMBL21711250 0.81 KMT2A (0.33) KMT2AMAPK1POLBMGLL
SCHEMBL300884 0.80 CA12 (0.42) KMT2ALMNAMAPK1ALDH1A1HPGD
SCHEMBL21711249 0.80 MGLL (0.35) POLBMGLL
SCHEMBL22076666 0.79 MGLL (0.33) KMT2AMAPK1MGLLMEN1CA12
SCHEMBL21711246 0.76 — —
SCHEMBL21711245 0.76 — —
SCHEMBL21500876 0.76 SENP1 (0.54) KMT2ALMNAMAPK1SENP1ALDH1A1
SCHEMBL27098186 0.76 ALDH1A1 (0.40) KMT2ALMNAMAPK1POLBALDH1A1

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
US-20200050107-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-02-13 — — US disclosed
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