SCHEMBL8016188

SCHEMBL8016188

Cc1c(Cc2ccc(C#N)cc2)oc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
F2 P00734 1/20 0.48
PKM P14618 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKLR P30613 2/20 0.45
TP53 P04637 1/20 0.44
GLO1 Q04760 1/20 0.42

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
SCHEMBL8026426 0.90 MEN1 (0.48) ALDH1A1LMNAMEN1KMT2AF2
SCHEMBL6641313 0.90 MEN1 (0.48) ALDH1A1LMNAMEN1KMT2APKM
Hydrochloric Acid SCHEMBL8031426 0.85 F2 (0.65) ALDH1A1LMNAMEN1KMT2AF2
SCHEMBL8026354 0.79 F2 (0.74) ALDH1A1MEN1KMT2AF2PKM
SCHEMBL6638995 0.78 PKM (0.49) ALDH1A1LMNAMEN1KMT2AF2
SCHEMBL8032187 0.77 F2 (0.42) ALDH1A1F2PKMGAAMAPT
SCHEMBL6635303 0.76 PKM (0.51) ALDH1A1LMNAMEN1KMT2AF2
SCHEMBL8026334 0.76 F2 (0.55) ALDH1A1MEN1KMT2AF2PKM
SCHEMBL6634047 0.75 F2 (0.58) ALDH1A1LMNAMEN1KMT2AF2
SCHEMBL8030716 0.75 PKM (0.62) ALDH1A1MEN1KMT2AF2PKM

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-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed