SCHEMBL8027014

SCHEMBL8027014

CCOC(=O)Cn1c(Cc2ccc(C#N)cc2)nc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.48
HIF1A Q16665 1/20 0.44
BRPF1 P55201 5/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMARCA2 P51531 1/20 0.42
PKM P14618 3/20 0.42
GAA P10253 2/20 0.41
BRD1 O95696 3/20 0.40
BRPF3 Q9ULD4 3/20 0.40
BRD4 O60885 2/20 0.40
BRD9 Q9H8M2 2/20 0.40
TP53 P04637 1/20 0.40
HTR6 P50406 1/20 0.40
NR1I2 O75469 1/20 0.40
PKLR P30613 1/20 0.39
BRD7 Q9NPI1 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8145525 0.92 F2 (0.52) F2BRPF1MEN1KMT2AALDH1A1
SCHEMBL8026122 0.88 MEN1 (0.42) F2HIF1ABRPF1MEN1KMT2A
Hydrochloric Acid SCHEMBL8031687 0.87 F2 (0.65) F2HIF1AMEN1KMT2AALDH1A1
SCHEMBL8029744 0.86 F2 (0.60) F2BRPF1ALDH1A1SMARCA2PKM
SCHEMBL6635525 0.84 AR (0.48) F2BRPF1MEN1KMT2AALDH1A1
SCHEMBL8030061 0.80 F2 (0.48) F2BRPF1SMARCA2PKMBRD1
SCHEMBL8026521 0.79 F2 (0.56) F2BRPF1ALDH1A1SMARCA2PKM
Hydrochloric Acid SCHEMBL8029879 0.79 F2 (0.68) F2ALDH1A1PKM
SCHEMBL8028279 0.79 F2 (0.59) F2BRPF1ALDH1A1SMARCA2PKM
SCHEMBL8032270 0.78 F2 (0.72) F2BRPF1BRD1BRPF3BRD4

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