SCHEMBL2803167

SCHEMBL2803167

NC(=O)c1cc(I)ccc1NC(=O)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ MAPK10 P53779 2/20 0.54
▸ MAPK1 P28482 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ HPGD P15428 3/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ NPC1 O15118 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MEN1 O00255 2/20 0.51

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
SCHEMBL6716706 0.83 RXFP1 (0.51) GFERALDH1A1KMT2AMAPTMAPK1
SCHEMBL6815137 0.75 GFER (0.71) GFERALDH1A1KMT2AMAPTMAPK1
SCHEMBL3407364 0.74 PTPN2 (0.75) GFERKMT2AMAPTPKMSMN1; SMN2
SCHEMBL7122996 0.74 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTMAPK1PKM
SCHEMBL4361861 0.73 PTPN1 (0.76) ALDH1A1KDM4EGAA
SCHEMBL6538622 0.72 GFER (0.63) GFERKMT2AMAPTPKMSMN1; SMN2
SCHEMBL14075179 0.72 LTC4S (0.66) GFERKMT2AMAPK1PKMCYP1A2
SCHEMBL21701478 0.72 CYP1A2 (0.61) GFERALDH1A1KMT2AMAPTMAPK1
SCHEMBL6933566 0.72 CYP1A2 (0.61) GFERALDH1A1KMT2AMAPTMAPK1
SCHEMBL15528812 0.72 MAPK1 (0.71) ALDH1A1KMT2AMAPTMAPK1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2241565-A1 Aurora kinase inhibitors compounds Universität Leipzig (DE) 2010-10-20 — — EP disclosed
EP-2241565-A1 Aurora kinase inhibitors compounds Universität Leipzig (DE) 2010-10-20 — — EP disclosed
WO-2010081881-A1 AURORA KINASE INHIBITORS COMPOUNDS. UNIVERSITÄT LEIPZIG (DE) 2010-07-22 — — WO disclosed
WO-2010081881-A1 AURORA KINASE INHIBITORS COMPOUNDS. UNIVERSITÄT LEIPZIG (DE) 2010-07-22 — — WO disclosed
Send feedback