SCHEMBL8775745

SCHEMBL8775745

O=S(=O)(O)c1cc(-c2cc(S(=O)(=O)O)c3ccccc3n2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
PDE10A Q9Y233 1/20 0.45
DHODH Q02127 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SUMO2 P61956 1/20 0.42
SUMO1 P63165 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP2 Q9HC62 1/20 0.42
SENP1 Q9P0U3 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MPL P40238 3/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 2/20 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
SCHEMBL11523274 0.84 RCE1 (0.46) RCE1MEN1KMT2ASUMO2SUMO1
SCHEMBL8519973 0.78 TTR (0.46) RCE1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL8564388 0.77 ALDH1A1 (0.48) RCE1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL31091510 0.75 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL6666484 0.74 MYC (0.57) RCE1NPC1RAB9AKMT2ASUMO2
SCHEMBL390404 0.72 MPL (0.53) RCE1SUMO2SUMO1SENP7SENP2
SCHEMBL11166296 0.72 COMT (0.49) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL30272856 0.71 ALDH1A1 (0.51) RCE1NPC1RAB9ALMNAKDM4E
SCHEMBL329215 0.71 ALDH1A1 (0.51) RCE1NPC1RAB9ALMNAKDM4E
SCHEMBL11973129 0.71 LMNA (0.50) LMNASMN1; SMN2KDM4EPDE10ADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807254-A1 LUMINESCENT PROBES FOR PROTEIN DETECTION TRUSTEES OF BOSTON UNIVERSITY (US) 1997-11-19 EP claimed
WO-1997020213-A1 LUMINESCENT PROBES FOR PROTEIN DETECTION TRUSTEES OF BOSTON UNIVERSITY (US) 1997-06-05 WO claimed
EP-0807254-A1 LUMINESCENT PROBES FOR PROTEIN DETECTION TRUSTEES OF BOSTON UNIVERSITY (US) 1997-11-19 EP disclosed
WO-1997020213-A1 LUMINESCENT PROBES FOR PROTEIN DETECTION TRUSTEES OF BOSTON UNIVERSITY (US) 1997-06-05 WO disclosed