SCHEMBL7652640

SCHEMBL7652640

COc1cccc(-c2ccccc2[PH](=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.46
BRD4 O60885 1/20 0.45
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41

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
SCHEMBL7813336 0.82 CHEK1 (0.48) CHEK1BRD4MAOBLMNAALDH1A1
SCHEMBL27929414 0.79 ALDH1A1 (0.38) LMNAALDH1A1GAAMAPTKMT2A
SCHEMBL2153528 0.77 CA4 (0.48) MAOBLMNAALDH1A1RAB9ACYP1A2
SCHEMBL3455245 0.77 ABL1 (0.60) BRD4ADORA2AADORA1MAOBLMNA
SCHEMBL28813103 0.77 ALDH1A1 (0.37) LMNAALDH1A1GAAMEN1MAPT
SCHEMBL2020140 0.77 ABL1 (0.59) BRD4ADORA2AADORA1MAOBLMNA
SCHEMBL7308295 0.74 CHEK1 (0.41) CHEK1BRD4ADORA2AADORA1MAOB
SCHEMBL25798209 0.74 NFE2L2 (0.42) LMNAALDH1A1GAARAB9AMEN1
SCHEMBL13211663 0.73 ABL1 (0.60) BRD4ADORA2AADORA1MAOBLMNA
SCHEMBL13240564 0.72 CA12 (0.46) LMNAALDH1A1RAB9AMEN1MAPT

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-0926152-B1 Process for the manufacture of bis(phosphine oxide)-and bis(phosphonate)-compounds HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed