SCHEMBL10440002

SCHEMBL10440002

CCCCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 10/20 0.55
HTT P42858 2/20 0.55
SLC22A1 O15245 1/20 0.52
LSS P48449 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL27266023 1.00 DNM1 (0.55) DNM1HTTSLC22A1LSSKMT2A
Iodide SCHEMBL3097826 0.97 DNM1 (0.56) DNM1HTTSLC22A1LSSKMT2A
Hydrochloric Acid SCHEMBL17200531 0.97 DNM1 (0.56) DNM1HTTSLC22A1LSSKMT2A
Hydrochloric Acid SCHEMBL28647303 0.97 DNM1 (0.56) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL19193343 0.97 DNM1 (0.50) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL5944573 0.89 BBOX1 (0.48) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL21758278 0.89 BBOX1 (0.52) DNM1HTTLSSKMT2ATSHR
Water SCHEMBL21758279 0.86 BBOX1 (0.50) DNM1HTTLSSKMT2ATSHR
SCHEMBL3282068 0.80 DNM1 (0.50) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL4313259 0.80 DNM1 (0.50) DNM1HTTSLC22A1LSSKMT2A

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
EP-0374014-A2 Organo-manganese compounds, their preparation and their use SOCIETE NATIONALE ELF AQUITAINE (FR) 1990-06-20 EP disclosed