SCHEMBL14182800

SCHEMBL14182800

O=C(Nc1ccc2cc(-c3ccc(NCC(=O)C45CC6CC(C4)C(=O)C(C6)C5)cc3)[nH]c2c1)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ GRM4 Q14833 9/20 0.36
▸ CRBN Q96SW2 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ GRM1 Q13255 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
SCHEMBL14182796 0.94 RAB9A (0.44) RAB9AKDM4EMAPTAGTR1OPRK1
SCHEMBL14182805 0.85 ALDH1A1 (0.42) RAB9AKDM4EMEN1KMT2AALDH1A1
SCHEMBL14213363 0.83 GRM4 (0.37) RAB9AKDM4EMAPTAGTR1OPRK1
SCHEMBL14182778 0.83 RAB9A (0.45) RAB9AKDM4EMAPTAGTR1OPRK1
SCHEMBL14183000 0.82 RAB9A (0.52) RAB9AKDM4EMAPTAGTR1OPRK1
SCHEMBL14182793 0.82 ITK (0.44) RAB9AKDM4EMAPTKMT2AALDH1A1
SCHEMBL14182802 0.82 ALDH1A1 (0.46) RAB9AKDM4EMAPTAGTR1OPRK1
SCHEMBL14182794 0.80 KDR (0.46) RAB9AKDM4EKDRGRM4SMN1; SMN2
SCHEMBL14182809 0.79 CNR1 (0.36) KDM4EMAPTMEN1GAAKMT2A
SCHEMBL14182801 0.79 ALDH1A1 (0.46) RAB9AKDM4EMEN1KMT2AALDH1A1

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 1 patent. 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
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