SCHEMBL7579536

SCHEMBL7579536

C=C1[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2cccc(C3(C#N)CC3)c2)NC(=N)N1C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 1/20 0.31

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
SCHEMBL7583861 0.94 KMT2A (0.32) KMT2AHSD11B1
SCHEMBL13055017 0.89 HSD11B1 (0.33) KMT2AHSD11B1
SCHEMBL7561306 0.89 HSD11B1 (0.33) KMT2AHSD11B1
SCHEMBL7581190 0.86 BACE1 (0.31)
SCHEMBL7588792 0.84 CCR6 (0.31)
SCHEMBL7582110 0.84 KDM1A (0.33)
SCHEMBL7579689 0.84
SCHEMBL7580668 0.84 P2RX7 (0.33)
SCHEMBL13054579 0.83 FPR2 (0.34) KMT2AHSD11B1
SCHEMBL7562344 0.83 FPR2 (0.34) KMT2AHSD11B1

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-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed