SCHEMBL17675754

SCHEMBL17675754

Cn1cc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2cccc(F)c2)NCCC3)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A9 P48067 3/20 0.39
CYP19A1 P11511 1/20 0.36
NAMPT P43490 2/20 0.36
GHSR Q92847 1/20 0.34
SLC8A1 P32418 1/20 0.34
NLRP3 Q96P20 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
LMNA P02545 1/20 0.33
GUSB P08236 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL13827404 0.91 SLC6A9 (0.47) KMT2ASLC6A9SLC8A1NLRP3MAPT
SCHEMBL13827398 0.87 SLC6A9 (0.42) POLBKMT2ASLC6A9CYP19A1NLRP3
SCHEMBL13827229 0.86 SLC6A9 (0.54) SLC6A9
SCHEMBL17675751 0.85 SLC6A9 (0.56) POLBKMT2ASLC6A9LMNA
SCHEMBL17675764 0.83 SLC6A9 (0.42) KMT2ASLC6A9GHSRMAPTHTR6
SCHEMBL7895325 0.81 SLC6A9 (0.59) POLBKMT2ASLC6A9SLC8A1
SCHEMBL13827333 0.81 ADRB2 (0.38) SLC6A9GHSRSLC8A1NLRP3
Hydrochloric Acid SCHEMBL3103386 0.81 SLC6A9 (0.58) POLBKMT2ASLC6A9SLC8A1
SCHEMBL17675755 0.81 SLC6A9 (0.50) KMT2ASLC6A9GHSRMAPTHTR6
SCHEMBL13738306 0.80 SLC6A9 (0.39) KMT2ASLC6A9GHSRHTR6

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-9309200-B2 Benzazepine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-04-12 US disclosed