SCHEMBL6690908

SCHEMBL6690908

O=C(NCCCl)Nc1cccc(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.67
RAB9A P51151 9/20 0.61
NPC1 O15118 8/20 0.61
CBS P35520 1/20 0.58
HPSE Q9Y251 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
MITF O75030 3/20 0.54
MAPT P10636 2/20 0.53
KMT2A Q03164 6/20 0.53
MAPK1 P28482 1/20 0.52
PAX8 Q06710 1/20 0.52
MEN1 O00255 4/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL131209 0.84 CASR (0.67) CASRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6064770 0.82 CASR (0.64) CASRRAB9ANPC1SMN1; SMN2MITF
SCHEMBL2236638 0.82 EPHX1 (0.62) CASRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL4749812 0.82 NPC1 (0.80) CASRRAB9ANPC1CBSHPSE
SCHEMBL7854890 0.81 CASR (0.63) CASRRAB9ANPC1CBSHPSE
SCHEMBL30443967 0.81 CASR (0.63) CASRRAB9ANPC1CBSHPSE
SCHEMBL6687855 0.81 MEN1 (0.69) CASRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL6688583 0.81 MARS1 (0.60) CASRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL30797219 0.81 MEN1 (0.69) CASRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL6688636 0.81 NAMPT (0.64) RAB9ANPC1SMN1; SMN2LMNAMAPT

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