SCHEMBL6691828

SCHEMBL6691828

COc1cccc(NC(=O)NCCCl)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.69
CASR P41180 1/20 0.67
SMN1; SMN2 Q16637 5/20 0.65
MAPT P10636 4/20 0.65
PKM P14618 3/20 0.65
KMT2A Q03164 2/20 0.65
HSD17B10 Q99714 1/20 0.65
TP53 P04637 1/20 0.62
TSHR P16473 1/20 0.62
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPK1 P28482 1/20 0.60
MEN1 O00255 1/20 0.59
RXFP1 Q9HBX9 1/20 0.58
CNR1 P21554 1/20 0.58
ALDH1A1 P00352 2/20 0.58
MITF O75030 1/20 0.58
LMNA P02545 1/20 0.58

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
SCHEMBL12988620 0.87 PKM (0.74) HTTCASRSMN1; SMN2MAPTPKM
SCHEMBL6693694 0.86 KMT2A (0.60) HTTCASRSMN1; SMN2MAPTPKM
SCHEMBL6690315 0.86 HTT (0.55) HTTCASRSMN1; SMN2MAPTPKM
SCHEMBL358772 0.86 MTNR1A (0.74) HTTCASRSMN1; SMN2MAPTPKM
SCHEMBL27773680 0.84 PKM (0.71) HTTCASRSMN1; SMN2MAPTPKM
SCHEMBL5612967 0.84 PKM (0.83) HTTCASRSMN1; SMN2MAPTPKM
SCHEMBL13480581 0.84 MTNR1B (0.72) HTTCASRSMN1; SMN2MAPTPKM
SCHEMBL22170204 0.83 CASR (0.75) HTTCASRSMN1; SMN2MAPTPKM
SCHEMBL25914013 0.83 CASR (0.64) HTTCASRSMN1; SMN2MAPTPKM
SCHEMBL4893387 0.83 TP53 (0.87) HTTSMN1; SMN2MAPTKMT2AHSD17B10

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