SCHEMBL8529971

SCHEMBL8529971

C=CCNc1ccc(C(NCC=C)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
MTOR P42345 1/20 0.46
GRM7 Q14831 1/20 0.46
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
KMT2A Q03164 2/20 0.36
MITF O75030 1/20 0.36
NSD2 O96028 1/20 0.36
CASP3 P42574 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6724867 0.88 MTOR (0.58) RAB9AMTORGRM7CYP3A4ALOX15
SCHEMBL16371883 0.78 CA12 (0.53) RAB9ACA12CA1CA2CA9
SCHEMBL11051 0.78 CA12 (0.53) RAB9ACA12CA1CA2CA9
SCHEMBL20490411 0.77 HDAC4 (0.60) CA12CA1CA2CA9L3MBTL1
Water SCHEMBL10657216 0.76 CA12 (0.52) RAB9ACA12CA1CA2CA9
Hydrochloric Acid SCHEMBL728400 0.76 CA12 (0.52) RAB9ACA12CA1CA2CA9
SCHEMBL10385905 0.76 CA12 (0.52) RAB9ACA12CA1CA2CA9
SCHEMBL28296540 0.76 CA12 (0.52) RAB9ACA12CA1CA2CA9
SCHEMBL253353 0.76 CA12 (0.52) RAB9ACA12CA1CA2CA9
Iodide SCHEMBL11631405 0.76 CA12 (0.52) RAB9ACA12CA1CA2CA9

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
US-5922824-A POLYESTERURETHANE MORTON INTERNATIONAL, INC. (US) 1999-07-13 US disclosed
US-5891578-A CONTAINING A QUATERNARY AMMONIUM DIOL COMPOUND MORTON INTERNATIONAL, INC. (US) 1999-04-06 US disclosed
EP-0681289-A2 Magnetic recording binder containing aminoalkylphosphonate salt MORTON INTERNATIONAL, INC. (US) 1995-11-08 EP disclosed