SCHEMBL10693649

SCHEMBL10693649

Nc1ccc(C(=O)NCCOS(=O)(=O)O)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 5/20 0.39
KMT2A Q03164 3/20 0.39
TERT O14746 2/20 0.39
MEN1 O00255 1/20 0.39
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL10690663 0.85 CA2 (0.39) CA2SMN1; SMN2KDM4EALDH1A1CA1
SCHEMBL10692839 0.82 LMNA (0.62) CA2HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL10694514 0.80 LMNA (0.50) CA2HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL14454253 0.77 L3MBTL1 (0.60) CA2HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL10692522 0.75 CA1 (0.47) CA2HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL23417255 0.75 NPC1 (0.63) HPGDSMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL27961888 0.75 CYP1A2 (0.57) HPGDSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL24904351 0.72 HPGD (0.56) HPGDSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL6885235 0.71 CA2 (0.53) CA2KDM4EALDH1A1CA1KMT2A
SCHEMBL28879276 0.70 LMNA (0.46) CA2LMNAKDM4EALDH1A1CA1

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-4754024-A Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups CIBA-GEIGY CORPORATION 1988-06-28 US disclosed