SCHEMBL14182742

SCHEMBL14182742

O=C(Nc1ccc2[nH]c(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ITK Q08881 1/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GRM2 Q14416 1/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ ENPP3 O14638 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ ENPP1 P22413 1/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL14182667 1.00 MAOA (0.51) MAOAMAOBALDH1A1KDM4ETP53
SCHEMBL14182642 0.91 GRM2 (0.52) ALDH1A1KDM4ETP53HPGDNPC1
SCHEMBL14182666 0.90 ALDH1A1 (0.49) MAOAMAOBALDH1A1KDM4ETP53
SCHEMBL14182670 0.90 ALDH1A1 (0.49) MAOAMAOBALDH1A1KDM4ETP53
SCHEMBL14182772 0.90 ALDH1A1 (0.49) MAOBALDH1A1KDM4ETP53HPGD
SCHEMBL14182744 0.90 ALDH1A1 (0.49) MAOAMAOBALDH1A1KDM4ETP53
SCHEMBL14182721 0.89 ALDH1A1 (0.56) ALDH1A1KDM4ETP53HPGDNPC1
SCHEMBL14182655 0.89 ALDH1A1 (0.56) ALDH1A1KDM4ETP53HPGDNPC1
SCHEMBL14182753 0.88 KCNQ2 (0.54) ALDH1A1KDM4ETP53NPC1RAB9A
SCHEMBL14182635 0.87 RAB9A (0.52) ALDH1A1KDM4ETP53HPGDNPC1

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
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