SCHEMBL8026334

SCHEMBL8026334

Cn1c(Cc2ccc(C#N)cc2)cc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.55
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
PKLR P30613 2/20 0.47
BRPF1 P55201 5/20 0.47
BRD4 O60885 3/20 0.46
BRD1 O95696 3/20 0.46
BRD9 Q9H8M2 2/20 0.46
BRPF3 Q9ULD4 2/20 0.46
BRD7 Q9NPI1 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
NTSR1 P30989 2/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL6633872 0.92 F2 (0.50) F2MEN1KMT2APKLRBRPF1
SCHEMBL8026354 0.85 F2 (0.74) F2MEN1KMT2APKLRBRD4
Hydrochloric Acid SCHEMBL8026588 0.84 F2 (0.74) F2MEN1KMT2AALDH1A1GAA
SCHEMBL7985209 0.83 F2 (0.60) F2MEN1KMT2APKLRBRPF1
SCHEMBL6636395 0.82 F2 (0.58) F2MEN1KMT2APKLRBRD4
SCHEMBL6634709 0.81 F2 (0.57) F2MEN1KMT2APKLRBRD4
SCHEMBL8029898 0.81 BRPF1 (0.61) F2MEN1KMT2ABRPF1BRD4
SCHEMBL8029757 0.80 F2 (0.55) F2MEN1KMT2APKLRBRD4
SCHEMBL6637767 0.77 F2 (0.49) F2MEN1KMT2APKLRBRD4
SCHEMBL7352541 0.77 PKLR (0.48) F2MEN1KMT2APKLRBRD4

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