SCHEMBL254332

SCHEMBL254332

Cc1cc(C)c(C(=O)c2c(P)cccc2I)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
TAS1R2 Q8TE23 3/20 0.33
MAPT P10636 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
CRHR1 P34998 2/20 0.32
TTR P02766 1/20 0.32
IGFBP3 P17936 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL247465 0.82 KMT2A (0.43) HPGDNPSR1MCOLN3KMT2ALMNA
SCHEMBL98046 0.75 KMT2A (0.42) HPGDNPSR1MCOLN3KMT2ALMNA
SCHEMBL6666412 0.74 HPGD (0.52) HPGDNPSR1MCOLN3KMT2ALMNA
SCHEMBL7177456 0.73 KMT2A (0.41) HPGDNPSR1MCOLN3KMT2ALMNA
SCHEMBL12002964 0.73 KMT2A (0.41) HPGDNPSR1MCOLN3KMT2ALMNA
SCHEMBL28160263 0.71 ABCB1 (0.38) HPGDNPSR1MCOLN3KMT2ALMNA
SCHEMBL27845943 0.71 FABP4 (0.40) HPGDNPSR1MCOLN3KMT2ALMNA
SCHEMBL11484037 0.69 CYP19A1 (0.49) HPGDNPSR1MCOLN3KMT2ALMNA
SCHEMBL28274214 0.68 KMT2A (0.67) HPGDNPSR1MCOLN3KMT2ALMNA
SCHEMBL28279332 0.68 CA12 (0.53) HPGDKMT2ALMNAMEN1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588549-A1 D1479 STABLE LIQUID BAP PHOTOINITIATOR AND ITS USE IN RADIATION CURABLE COMPOSITIONS DSM IP Assets B.V. (NL) 2013-05-08 EP disclosed
WO-2012003106-A1 D1479 STABLE LIQUID BAP PHOTOINITIATOR AND ITS USE IN RADIATION CURABLE COMPOSITIONS DSM IP ASSETS B.V. (NL) 2012-01-05 WO disclosed