SCHEMBL20003160

SCHEMBL20003160

O=C(I)c1ccc(=O)[nH]c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 2/20 0.42
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL437592 0.79 TP53 (0.50) KMT2AMEN1POLBL3MBTL1EPHX2
SCHEMBL4004484 0.77 KMT2A (0.45) KMT2AMEN1POLBL3MBTL1EPHX2
SCHEMBL657937 0.77 POLB (0.47) KMT2AMEN1POLBL3MBTL1EPHX2
SCHEMBL2366245 0.77 POLB (0.44) KMT2AMEN1POLBL3MBTL1EPHX2
Lithium Ion SCHEMBL29771299 0.76 POLB (0.42) KMT2AMEN1POLBL3MBTL1EPHX2
Hydrochloric Acid SCHEMBL30612668 0.76 L3MBTL1 (0.46) KMT2AMEN1POLBL3MBTL1EPHX2
SCHEMBL9670998 0.74 POLB (0.45) KMT2AMEN1POLBL3MBTL1EPHX2
SCHEMBL6918970 0.74 L3MBTL1 (0.53) KMT2AMEN1POLBL3MBTL1EPHX2
SCHEMBL815029 0.74 TSHR (0.50) ALDH1A1LMNA
SCHEMBL15592626 0.73 L3MBTL1 (0.44) KMT2AMEN1POLBL3MBTL1EPHX2

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-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed