SCHEMBL5454023

SCHEMBL5454023

O=C(NC(=S)Nc1ccc(I)cc1)c1ccoc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 2/20 0.47
IDO1 P14902 1/20 0.45
KMT2A Q03164 4/20 0.45
PKM P14618 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 3/20 0.44
MIF P14174 1/20 0.44

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
SCHEMBL5453192 0.86 EPHX1 (0.65) EPHX1ALDH1A1KDM4ERAB9ANPSR1
SCHEMBL5455082 0.82 ALDH1A1 (0.53) EPHX1ALDH1A1KDM4ERAB9ANPSR1
SCHEMBL5459767 0.82 ALDH1A1 (0.59) EPHX1ALDH1A1KDM4ENPSR1SMN1; SMN2
SCHEMBL5464193 0.82 ALDH1A1 (0.59) EPHX1ALDH1A1KDM4ERAB9ANPC1
SCHEMBL12768389 0.78 ALDH1A1 (0.71) EPHX1ALDH1A1RAB9ANPSR1NPC1
SCHEMBL16358841 0.77 KMT2A (0.70) EPHX1ALDH1A1RAB9ANPSR1NPC1
SCHEMBL5451532 0.73 PLK1 (0.47) RAB9ANPC1KMT2A
SCHEMBL14095975 0.73 SIRT2 (0.60) EPHX1ALDH1A1KDM4ERAB9ANPSR1
SCHEMBL5450412 0.73 MAPT (0.43) EPHX1ALDH1A1KDM4ERAB9ANPSR1
SCHEMBL5455033 0.72 NPC1 (0.60) ALDH1A1KDM4ERAB9ANPC1KMT2A

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-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed