SCHEMBL14182807

SCHEMBL14182807

CC1CCCCC1C(=O)CNc1ccc(-c2cc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GRM2 Q14416 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALOX5 P09917 2/20 0.34
▸ EPHX2 P34913 2/20 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
SCHEMBL14183011 0.88 ALDH1A1 (0.43) ALDH1A1KDM4ETP53HPGDGRM2
SCHEMBL14182803 0.88 ALDH1A1 (0.43) ALDH1A1KDM4ETP53HPGDGRM2
SCHEMBL14182804 0.88 ALDH1A1 (0.43) ALDH1A1KDM4ETP53HPGDGRM2
SCHEMBL14182811 0.86 CNR1 (0.41) ALDH1A1HPGDCNR2SMN1; SMN2MEN1
SCHEMBL14182801 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ETP53HPGDGRM2
SCHEMBL14182791 0.84 ITK (0.48) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL14183003 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ETP53HPGDGRM2
SCHEMBL14213699 0.81 ALDH1A1 (0.39) ALDH1A1KDM4ETP53HPGDGRM2
SCHEMBL14182668 0.81 MAOA (0.42) ALDH1A1KDM4ETP53HPGDGRM2
SCHEMBL14182704 0.81 MAOA (0.42) ALDH1A1KDM4ETP53HPGDGRM2

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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