SCHEMBL6689221

SCHEMBL6689221

O=C(NCCBr)Nc1cccc(I)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
GRIK1 P39086 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
EPHX1 P07099 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CASR P41180 3/20 0.45
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL23457301 0.84 MAPT (0.70) MAPTKMT2AMEN1EPHX1HTT
SCHEMBL6690983 0.84 MAPT (0.50) MAPTGRIK1KMT2AMEN1EPHX1
SCHEMBL29466759 0.81 GRIK1 (0.60) MAPTGRIK1KMT2AMEN1EPHX1
SCHEMBL13480563 0.81 MAPT (0.53) MAPTGRIK1EPHX1NPC1RAB9A
SCHEMBL20589957 0.81 ALDH1A1 (0.51) MAPTKMT2AMEN1EPHX1LMNA
SCHEMBL16666836 0.80 EPHX1 (0.62) KMT2AMEN1EPHX1LMNAHTT
SCHEMBL20589637 0.77 MAPT (0.46) MAPTGRIK1KMT2AMEN1EPHX1
SCHEMBL15094368 0.77 TRPV1 (0.50) MAPTGRIK1KMT2AMEN1RAB9A
SCHEMBL6915485 0.76 ALDH1A1 (0.60) MAPTKMT2AMEN1EPHX1LMNA
SCHEMBL19880777 0.76 TP53 (0.65) MAPTGRIK1KMT2AMEN1EPHX1

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
WO-2004106291-A1 HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION IMOTEP INC. (CA) 2004-12-09 WO disclosed
WO-2004106292-A1 HALOETHYL UREA COMPOUNDS AND THEIR USE TO ATTENUATE, INHIBIT OR PREVENT NON-CANCEROUS PATHOGENIC CELLULAR PROLIFERATION AND DISEASES ASSOCIATED THEREWITH IMOTEP INC. (CA) 2004-12-09 WO disclosed