SCHEMBL14182744

SCHEMBL14182744

O=C(Nc1ccc2[nH]c(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2c1)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ TP53 P04637 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NAMPT P43490 1/20 0.48
▸ GRM2 Q14416 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GAA P10253 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ITK Q08881 1/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL14182666 1.00 ALDH1A1 (0.49) ALDH1A1KDM4ETP53HPGDKMT2A
SCHEMBL14182742 0.90 MAOA (0.51) ALDH1A1KDM4ETP53HPGDNAMPT
SCHEMBL14182667 0.90 MAOA (0.51) ALDH1A1KDM4ETP53HPGDNAMPT
SCHEMBL14182721 0.89 ALDH1A1 (0.56) ALDH1A1KDM4ETP53HPGDKMT2A
SCHEMBL14182655 0.89 ALDH1A1 (0.56) ALDH1A1KDM4ETP53HPGDKMT2A
SCHEMBL14182642 0.89 GRM2 (0.52) ALDH1A1KDM4ETP53HPGDKMT2A
SCHEMBL14182670 0.89 ALDH1A1 (0.49) ALDH1A1KDM4ETP53HPGDKMT2A
SCHEMBL14182772 0.89 ALDH1A1 (0.49) ALDH1A1KDM4ETP53HPGDKMT2A
SCHEMBL14182753 0.86 KCNQ2 (0.54) ALDH1A1KDM4ETP53KMT2AMEN1
SCHEMBL14182635 0.85 RAB9A (0.52) ALDH1A1KDM4ETP53HPGDKMT2A

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
US-7375118-B2 Phenyl-indole compounds for modulating IgE and Inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2008-05-20 — — US disclosed
US-7375118-B2 Phenyl-indole compounds for modulating IgE and Inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2008-05-20 — — US disclosed
Send feedback