SCHEMBL8525645

SCHEMBL8525645

NC(N)CCc1cnccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
CYP1A2 P05177 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BAZ2B Q9UIF8 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
TSHR P16473 1/20 0.32
MC4R P32245 1/20 0.32
ADRA1A P35348 1/20 0.32
MC3R P41968 1/20 0.32
XDH P47989 1/20 0.32
TXNRD1 Q16881 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRA5 P31644 1/20 0.32
MAP4K4 O95819 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
SCHEMBL1829926 0.79 ALDH1A1 (0.38) HSP90AA1CYP1A2HDAC3HDAC1HDAC2
SCHEMBL28996404 0.79 HSP90AA1 (0.33) HSP90AA1CYP1A2HDAC3HDAC1HDAC2
SCHEMBL29401404 0.79 KDM4E (0.38) HSP90AA1CYP1A2HDAC3HDAC1HDAC2
SCHEMBL2308662 0.76
SCHEMBL28362525 0.75 HSP90AA1 (0.40) HSP90AA1CYP1A2HDAC3HDAC1HDAC2
SCHEMBL3298714 0.75 KDM4E (0.35) HSP90AA1CYP1A2HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL8829926 0.74 HRH1 (0.48) HSP90AA1CYP1A2HDAC3HDAC1HDAC2
SCHEMBL6287667 0.72 CYP2A6 (0.47) HSP90AA1HDAC3HDAC1HDAC2HDAC6
SCHEMBL27734710 0.72 ADORA3 (0.40) HDAC3HDAC1HDAC2HDAC6CYP2C9
SCHEMBL27734711 0.72 ADORA3 (0.40) HDAC3HDAC1HDAC2HDAC6CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584511-B1 PROCESS FOR THE PREPARATION OF A COMPOSITE TEXTILE MATERIAL ALCANTARA SPA (IT) 1999-03-10 EP disclosed
EP-0584511-A1 A composite textile material and process for its preparation ALCANTARA S.p.A. (IT) 1994-03-02 EP disclosed