SCHEMBL8032287

SCHEMBL8032287

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 4/20 0.44
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43
SLC40A1 Q9NP59 6/20 0.42
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
HTR6 P50406 4/20 0.40
F2 P00734 2/20 0.39
SLC22A12 Q96S37 1/20 0.39
HSD11B1 P28845 2/20 0.38
AGTR1 P30556 2/20 0.38
PAX8 Q06710 2/20 0.38
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
G6PD P11413 1/20 0.37
NFKBIA P25963 1/20 0.37
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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 0.90 F2 (0.48) GLO1SLC40A1BRD4F2SLC22A12
SCHEMBL8026558 0.89 GLO1 (0.48) GLO1SLC40A1BRD4F2SLC22A12
SCHEMBL8028576 0.86 CDC25A (0.48) GLO1SLC40A1F2SLC22A12HSD11B1
SCHEMBL8026661 0.86 GLO1 (0.49) GLO1SLC40A1BRD4F2SLC22A12
SCHEMBL8026444 0.85 GLO1 (0.46) GLO1SLC40A1BRD4CREBBPF2
SCHEMBL8032159 0.84 MAPT (0.48) GLO1SLC40A1BRD4CREBBP
SCHEMBL8028284 0.83 GLO1 (0.40) GLO1SLC40A1BRD4CREBBPF2
SCHEMBL8032284 0.82 F2 (0.60) BRD4HTR6F2PAX8
SCHEMBL8029746 0.81 GLO1 (0.41) GLO1SLC40A1F2AGTR1PAX8
SCHEMBL8109694 0.80 GLO1 (0.48) GLO1SLC40A1BRD4SLC22A12HSD11B1

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