SCHEMBL8026558

SCHEMBL8026558

CCn1c(Cc2ccc(C#N)cc2)nc2c(NS(=O)(=O)c3ccccc3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 4/20 0.48
F2 P00734 2/20 0.47
CNR2 P34972 1/20 0.44
BRPF1 P55201 1/20 0.43
SMARCA2 P51531 1/20 0.43
SLC40A1 Q9NP59 5/20 0.42
SLC22A12 Q96S37 1/20 0.42
AGTR1 P30556 2/20 0.42
PAX8 Q06710 2/20 0.42
HSD11B1 P28845 3/20 0.41
G6PD P11413 1/20 0.41
NFKBIA P25963 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
MMP2 P08253 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL8017545 0.93 F2 (0.48) GLO1F2CNR2BRPF1SMARCA2
SCHEMBL8028576 0.91 CDC25A (0.48) GLO1F2SLC40A1SLC22A12AGTR1
SCHEMBL8026444 0.90 GLO1 (0.46) GLO1F2CNR2SLC40A1SLC22A12
SCHEMBL8026661 0.89 GLO1 (0.49) GLO1F2BRPF1SLC40A1SLC22A12
SCHEMBL8032287 0.89 GLO1 (0.44) GLO1F2SLC40A1SLC22A12AGTR1
SCHEMBL8029746 0.88 GLO1 (0.41) GLO1F2CNR2BRPF1SLC40A1
SCHEMBL8028284 0.86 GLO1 (0.40) GLO1F2CNR2BRPF1SLC40A1
SCHEMBL8032159 0.85 MAPT (0.48) GLO1CNR2SLC40A1BRD4
SCHEMBL8026525 0.84 ALDH1A1 (0.41) GLO1F2CNR2BRPF1SLC40A1
SCHEMBL8109694 0.82 GLO1 (0.48) GLO1BRPF1SLC40A1SLC22A12AGTR1

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