SCHEMBL7262138

SCHEMBL7262138

CCn1ccnc1C.Cc1nccn1C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
TSHR P16473 1/20 0.45
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FDPS P14324 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LPO P22079 1/20 0.39
MAPT P10636 1/20 0.39
AGER Q15109 1/20 0.39
TLR8 Q9NR97 2/20 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
SCHEMBL486434 0.89
Bromide SCHEMBL1237833 0.87
Hydrochloric Acid SCHEMBL1202962 0.87
Iodide SCHEMBL4268734 0.87
Hydrogen Sulfide SCHEMBL28101812 0.87
Hydrochloric Acid SCHEMBL4416924 0.85 KMT2A (0.59) ALDH1A1KMT2APOLBTSHRCA12
Hydrochloric Acid SCHEMBL4416931 0.85 KMT2A (0.59) ALDH1A1KMT2APOLBTSHRCA12
Fluoride SCHEMBL28043451 0.85 KMT2A (0.59) ALDH1A1KMT2APOLBTSHRCA12
Butane SCHEMBL28373996 0.83 ALDH1A1 (0.55) ALDH1A1KMT2APOLBTSHRCA12
SCHEMBL16694847 0.82

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-0684620-B1 ELECTROLYTIC SOLUTION AND ELECTROCHEMICAL ELEMENT PREPARED THEREFROM SANYO CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed