SCHEMBL9504529

SCHEMBL9504529

COCCN(CCCl)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 6/20 0.44
TSHR P16473 5/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
SLC22A3 O75751 1/20 0.44
ESR1 P03372 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
Hydrochloric Acid SCHEMBL8986048 0.98 MEN1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL8281042 0.93 MEN1 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL8281044 0.89 MEN1 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL373667 0.84 OPRM1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL615299 0.84 TSHR (0.56) MEN1KMT2ATSHRCHRM2HTR1A
Hydrochloric Acid SCHEMBL144177 0.82 OPRM1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL479112 0.82 OPRM1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
Bromide SCHEMBL8961491 0.82 OPRM1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL24178220 0.82 CALM1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL21043434 0.82 CALM1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426987-B1 RAPIDLY IMMOBILIZING PAPER COATING COMPOSITIONS National Starch and Chemical Investment Holding Corporation (US) 1993-07-14 EP claimed
US-5093159-A Cationic Starch, Pigment, Base NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1992-03-03 US claimed
EP-0426987-A1 Rapidly immobilizing paper coating compositions National Starch and Chemical Investment Holding Corporation (US) 1991-05-15 EP claimed
EP-0426987-B1 RAPIDLY IMMOBILIZING PAPER COATING COMPOSITIONS National Starch and Chemical Investment Holding Corporation (US) 1993-07-14 EP disclosed
US-5093159-A Cationic Starch, Pigment, Base NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1992-03-03 US disclosed
EP-0426987-A1 Rapidly immobilizing paper coating compositions National Starch and Chemical Investment Holding Corporation (US) 1991-05-15 EP disclosed