SCHEMBL12818029

SCHEMBL12818029

Cc1noc(C)c1-c1ccc2c(c1)N(S(=O)(=O)c1cc3ccccc3s1)CCO2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ BRD4 O60885 10/20 0.43
▸ BRD2 P25440 8/20 0.43
▸ BRD3 Q15059 8/20 0.43
▸ TP53 P04637 1/20 0.41
▸ PDE3B Q13370 2/20 0.39
▸ PDE3A Q14432 2/20 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
SCHEMBL12818288 0.84 BRD4 (0.42) BRD4BRD2BRD3
SCHEMBL12818294 0.83 PIK3CD (0.47) MAPTMEN1KMT2ATP53PDE3B
SCHEMBL12818659 0.82 PIK3CD (0.42) MAPTMEN1KMT2ATP53PDE3B
SCHEMBL12818708 0.80 BRD4 (0.45) MAPTMEN1KMT2ABRD4BRD2
SCHEMBL12818903 0.79 MEN1 (0.42) MAPTMEN1KMT2ATP53PDE3B
SCHEMBL12818435 0.79 KMT2A (0.41) MAPTMEN1KMT2ATP53PDE3B
SCHEMBL12819204 0.79 PDE3B (0.38) MAPTMEN1KMT2ATP53PDE3B
SCHEMBL12817588 0.78 PDE3B (0.35) MAPTMEN1KMT2ATP53PDE3B
SCHEMBL12817586 0.78 PDE3B (0.40) MAPTMEN1KMT2ATP53PDE3B
SCHEMBL12818632 0.77 PDE3B (0.36) MAPTMEN1KMT2ATP53PDE3B

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
WO-2012130306-A1 BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY ELARA PHARMACEUTICALS GMBH (DE) 2012-10-04 — — WO disclosed
Send feedback