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 — —
Hydrogen Sulfide SCHEMBL28101812 0.87 — —
Iodide SCHEMBL4268734 0.87 — —
Hydrochloric Acid SCHEMBL4416931 0.85 KMT2A (0.59) ALDH1A1KMT2APOLBTSHRCA12
Hydrochloric Acid SCHEMBL4416924 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
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