SCHEMBL8083797

SCHEMBL8083797

CCCCCCCCCCCCCC[N+](C)(C)Cc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
HTT P42858 4/20 0.54
PSMD14 O00487 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MMP2 P08253 1/20 0.45
MC4R P32245 1/20 0.45
RAD52 P43351 1/20 0.45
MLNR O43193 1/20 0.44
NR1I2 O75469 1/20 0.44
ESR1 P03372 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
ADRB2 P07550 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRB1 P08588 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
SCHEMBL6762129 1.00 DNM1 (0.57) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL1123490 0.98 MEN1 (0.58) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL30869258 0.98 MEN1 (0.58) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL29729671 0.98 MEN1 (0.58) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Water SCHEMBL11790520 0.98 DNM1 (0.55) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Water SCHEMBL8021034 0.97 HTT (0.59) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL10445238 0.85 MEN1 (0.49) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL8720796 0.83 KMT2A (0.71) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7760973 0.83 KMT2A (0.71) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7764453 0.83 KMT2A (0.71) DNM1MEN1KMT2AMAPK1SMN1; SMN2

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
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-0615857-B1 Recording sheets containing monoammonium compounds XEROX CORP (US) 1998-11-11 EP claimed