SCHEMBL7972449

SCHEMBL7972449

Cc1ccc(C(=O)NCCNCC(N)=O)c(Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.45
BRD4 O60885 4/20 0.43
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADORA2A P29274 3/20 0.36
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADORA1 P30542 2/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
Hydrochloric Acid SCHEMBL7974149 0.97 EGFR (0.43) EGFRBRD4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7972454 0.85 EGFR (0.46) EGFRBRD4ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7974150 0.83 BRD4 (0.45) EGFRBRD4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7960599 0.82 PDCD1LG2 (0.37) BRD4ALDH1A1L3MBTL1POLBTHRB
Hydrochloric Acid SCHEMBL7972228 0.81 PDCD1LG2 (0.36) BRD4ALDH1A1L3MBTL1POLBTHRB
SCHEMBL2473897 0.77 EGFR (0.51) EGFRBRD4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30027960 0.77 EGFR (0.54) EGFRBRD4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5433157 0.77 BRD4 (0.53) EGFRBRD4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5426752 0.76 ALDH1A1 (0.53) EGFRBRD4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL609574 0.75 EGFR (0.52) EGFRBRD4ALDH1A1KDM4ESMN1; SMN2

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
WO-2001055109-A1 AROMATIC AMIDES ACTING ON MELANOCORTIN RECEPTORS MELACURE THERAPEUTICS AB (SE) 2001-08-02 WO claimed
WO-2001055109-A1 AROMATIC AMIDES ACTING ON MELANOCORTIN RECEPTORS MELACURE THERAPEUTICS AB (SE) 2001-08-02 WO disclosed