SCHEMBL10952736

SCHEMBL10952736

c1ccc(CNCCCCCCOCCCCCCNCc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.77
CHRM2 P08172 1/20 0.74
SIGMAR1 Q99720 5/20 0.67
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
DRD4 P21917 1/20 0.55
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
NCOR2 Q9Y618 2/20 0.54
SCN8A Q9UQD0 1/20 0.54
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
ACHE P22303 2/20 0.51
BCHE P06276 1/20 0.51

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
SCHEMBL21924124 0.98 MAOA (0.73) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL9764394 0.93 SIGMAR1 (0.69) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL9666404 0.93 SIGMAR1 (0.74) MAOACHRM2SIGMAR1MEN1KMT2A
SCHEMBL456614 0.93 SIGMAR1 (0.80) MAOACHRM2SIGMAR1GAAMAPT
SCHEMBL10477755 0.93 SIGMAR1 (0.69) MAOACHRM2SIGMAR1MEN1KMT2A
Bromide SCHEMBL7121198 0.92 SIGMAR1 (0.77) MAOACHRM2SIGMAR1GAAMAPT
Hydrochloric Acid SCHEMBL454214 0.92 SIGMAR1 (0.77) MAOACHRM2SIGMAR1GAAMAPT
Hydrochloric Acid SCHEMBL9260556 0.92 SIGMAR1 (0.72) MAOACHRM2SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL9257562 0.92 SIGMAR1 (0.77) MAOACHRM2SIGMAR1GAAMAPT
Bromide SCHEMBL9578037 0.92 SIGMAR1 (0.72) MAOACHRM2SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4532031-A Using frother compound having sulfide and ester groups AMERICAN CYANAMID COMPANY (US) 1985-07-30 US disclosed
US-4394257-A Froth flotation process AMERICAN CYANAMID COMPANY (US) 1983-07-19 US disclosed