SCHEMBL4408948

SCHEMBL4408948

O=C(Cc1[nH]cc[n+]1Cc1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
SRD5A2 P31213 2/20 0.40
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL5722025 0.86 KMT2A (0.49) MAPTRAB9AMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5974725 0.78 ALDH1A1 (0.47) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL5721979 0.76 KMT2A (0.41) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL4049889 0.76 CALM1 (0.39) MAPTRAB9AMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5977180 0.73 POLB (0.46) MAPTRAB9AMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL20191168 0.73 TP53 (0.43) RAB9AMEN1KMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL28388643 0.73 KDM4E (0.37) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL5292833 0.72 EEF2K (0.38) RAB9AMEN1KMT2AALDH1A1GAA
SCHEMBL20527609 0.71 CA1 (0.44) L3MBTL1MAPTSRD5A2RAB9AMEN1
SCHEMBL10855922 0.71 KMT2A (0.43) MAPTRAB9AMEN1KMT2AALDH1A1

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
WO-2009115392-A1 IMIDAZOLIUM SALTS AS ENZYME STABILIZERS HENKEL AG & CO. KGAA (DE) 2009-09-24 WO disclosed