SCHEMBL6690983

SCHEMBL6690983

O=C(NCCCl)Nc1cccc(I)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
EPHX1 P07099 3/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
GRIK1 P39086 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.48
EGFR P00533 3/20 0.47
ERBB2 P04626 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CASR P41180 2/20 0.47

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
SCHEMBL6689221 0.84 MAPT (0.50) MAPTSMN1; SMN2KMT2AMEN1EPHX1
SCHEMBL30797219 0.83 MEN1 (0.69) MAPTSMN1; SMN2KMT2AMEN1EPHX1
SCHEMBL6688583 0.83 MARS1 (0.60) MAPTSMN1; SMN2KMT2AMEN1EPHX1
SCHEMBL6687855 0.83 MEN1 (0.69) MAPTSMN1; SMN2KMT2AMEN1EPHX1
SCHEMBL5054174 0.81 MARS1 (0.61) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL6690632 0.81 EGFR (0.64) MAPTSMN1; SMN2KMT2AMEN1EPHX1
SCHEMBL3781565 0.81 ALDH1A1 (0.67) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL6690864 0.81 MAPT (0.75) MAPTSMN1; SMN2KMT2AEPHX1LMNA
SCHEMBL29466759 0.81 GRIK1 (0.60) MAPTSMN1; SMN2KMT2AMEN1EPHX1

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-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
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