SCHEMBL6696313

SCHEMBL6696313

CCOc1ccc(NC(=O)NCCCl)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
KMT2A Q03164 3/20 0.62
LMNA P02545 3/20 0.59
POLB P06746 2/20 0.59
MEN1 O00255 2/20 0.59
CYP1A2 P05177 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HPGD P15428 1/20 0.58
NPC1 O15118 6/20 0.58
RAB9A P51151 5/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL6692679 0.88 CA12 (0.58) MAPTKMT2APOLBMEN1HPGD
SCHEMBL6697390 0.86 CA12 (0.56) ALDH1A1GAA
SCHEMBL4947949 0.85 KMT2A (0.66) MAPTKMT2ALMNAPOLBMEN1
SCHEMBL6689381 0.85 FAAH (0.56) ALDH1A1GAA
SCHEMBL3146895 0.84 FPR2 (0.66) MAPTKMT2APOLBMEN1NPC1
SCHEMBL1428026 0.84 EPHX2 (0.54) MAPTKMT2ALMNAPOLBNPC1
Hydrochloric Acid SCHEMBL4952651 0.84 MAPT (0.61) MAPTKMT2ALMNAPOLBMEN1
SCHEMBL10576308 0.84 MAPT (0.86) MAPTKMT2ALMNAPOLBMEN1
SCHEMBL6690315 0.83 HTT (0.55) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14593665 0.82 KMT2A (0.70) MAPTKMT2ALMNAPOLBMEN1

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
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