SCHEMBL8444634

SCHEMBL8444634

C=C(Cl)C(=O)Nc1c[nH]c(C(=O)Nc2c[nH]c(C(=O)Nc3c[nH]c(C(=O)NCCC(N)=O)c3C)c2C)c1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
JAK3 P52333 1/20 0.30

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
SCHEMBL8444756 1.00 GRM1 (0.32) GRM1HDAC3HDAC1JAK3
SCHEMBL8442270 0.90 GRM1 (0.32) GRM1HDAC3HDAC1JAK3
SCHEMBL8442215 0.90 GRM1 (0.32) GRM1HDAC3HDAC1JAK3
SCHEMBL8444556 0.89 GRM1 (0.30) GRM1
SCHEMBL8444754 0.89 GRM1 (0.30) GRM1
SCHEMBL8442187 0.83 GRM1 (0.31) GRM1
SCHEMBL7810395 0.83 HDAC2 (0.40) HDAC3HDAC1
Hydrochloric Acid SCHEMBL7817968 0.82 HDAC3 (0.36) GRM1HDAC3HDAC1
SCHEMBL7827423 0.81 BDKRB1 (0.32)
SCHEMBL7835682 0.81 BDKRB1 (0.32)

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-0915845-A1 ACRYLOYL SUBSTITUTED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1999-05-19 EP disclosed
WO-1998004524-A1 ACRYLOYL SUBSTITUTED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1998-02-05 WO disclosed