SCHEMBL11081808

SCHEMBL11081808

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC=Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 7/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HTT P42858 5/20 0.51
▸ MLNR O43193 1/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ NR3C1 P04150 1/20 0.49
▸ PGR P06401 1/20 0.49
▸ ADRB2 P07550 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ ADRB1 P08588 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ DRD2 P14416 1/20 0.49

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 SCHEMBL32674559 0.98 KMT2A (0.55) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL8070951 0.98 KMT2A (0.55) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7145936 0.86 SMN1; SMN2 (0.47) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7145938 0.86 SMN1; SMN2 (0.47) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL8660307 0.84 CHRNA7 (0.47) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL8070163 0.84 CHRNA7 (0.47) DNM1KMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL2744951 0.82 HTR2A (0.50) KMT2AMEN1MAPK1HTR2AALDH1A1
SCHEMBL9580589 0.81 DNM1 (0.40) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Didecyldimethylammonium SCHEMBL27732450 0.77 HDAC3 (0.56) DNM1KMT2AMEN1MAPK1SMN1; SMN2
Styrene SCHEMBL27863894 0.77 KMT2A (0.53) DNM1KMT2AMEN1MAPK1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4434076-A QUATERNARY AMMONIUM-SMECTITE COMPLEXES NL INDUSTRIES, INC. (US) 1984-02-28 — — US disclosed
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