SCHEMBL6689395

SCHEMBL6689395

O=C(NCCCl)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNF4 P78317 1/20 0.68
CHRM4 P08173 1/20 0.57
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
CA4 P22748 1/20 0.56
CA7 P43166 1/20 0.56
NAMPT P43490 1/20 0.55
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PGR P06401 1/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL16288298 0.91 RNF4 (0.64) RNF4CHRM4CA12CA1CA2
SCHEMBL2236638 0.85 EPHX1 (0.62) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL6688599 0.83 NOX1 (0.61) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL6687903 0.83 CASR (0.66) CA12CA1CA2CA9CA4
SCHEMBL5612163 0.82 RNF4 (0.56) RNF4CHRM4CA12CA1CA2
SCHEMBL11834466 0.82 KMT2A (0.72) CA12CA1CA2CA9CA4
SCHEMBL4588804 0.82 NAMPT (0.55) RNF4CA12CA1CA2CA9
SCHEMBL30053559 0.82 CA12 (0.73) RNF4CA12CA1CA2CA9
SCHEMBL3146895 0.81 FPR2 (0.66) CA12CA1CA2CA9CA4
SCHEMBL2433310 0.81 CASR (0.78) RNF4CA12CA1CA2CA9

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 3 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
US-4059697-A N-(Substituted)aminocarbonyl O,S-dialkyl phosphoramido(di)thioates and method of controlling arthropods ROHM AND HAAS COMPANY (US) 1977-11-22 US disclosed