SCHEMBL6691041

SCHEMBL6691041

COc1ccc(NC(=O)NCCCl)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
NPC1 O15118 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.48
TP53 P04637 1/20 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
SCHEMBL6689214 0.89 MAPT (0.57) L3MBTL1ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL6371005 0.83 RAB9A (0.75) L3MBTL1RAB9AALDH1A1CA12CA1
SCHEMBL17536233 0.82 ALDH1A1 (0.67) L3MBTL1RAB9AALDH1A1CA12CA1
SCHEMBL11687791 0.81 ALDH1A1 (0.64) RAB9AALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL8415420 0.80 MAPT (0.53) RAB9AALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL426569 0.80 ALDH1A1 (0.55) L3MBTL1RAB9AALDH1A1CA12CA1
SCHEMBL30293239 0.80 ALDH1A1 (0.55) L3MBTL1RAB9AALDH1A1CA12CA1
SCHEMBL3146895 0.78 FPR2 (0.66) RAB9ACA12CA1CA2CA9
SCHEMBL5466634 0.77 GFER (0.62) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL6117229 0.77 RAB9A (0.61) L3MBTL1RAB9AALDH1A1CA12CA1

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