SCHEMBL9851396

SCHEMBL9851396

CCCCCCCN1CCCCc2c1nc1cc(OC)ccc1c2N

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 17/20 0.55
KDM4E B2RXH2 1/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
ALPG P10696 1/20 0.49
BCHE P06276 12/20 0.46
CHRM1 P11229 1/20 0.44
GRIN1 Q05586 3/20 0.43
GRIN2A Q12879 3/20 0.43

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
SCHEMBL9851343 0.73 ACHE (0.51) ACHEKDM4EMITFALDH1A1LMNA
SCHEMBL12043410 0.72 ACHE (1.00) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL30410668 0.72 ACHE (1.00) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL9851360 0.71 ACHE (0.51) ACHEKDM4EALDH1A1LMNABCHE
Hydrochloric Acid SCHEMBL9851361 0.68 ALDH1A1 (0.49) ACHEKDM4EMITFALDH1A1LMNA
SCHEMBL10490519 0.67 HRH3 (0.52) ALDH1A1
SCHEMBL29679617 0.65 ACHE (0.51) ACHEBCHECHRM1GRIN1GRIN2A
SCHEMBL9255540 0.65 ACHE (0.60) ACHEKDM4EALDH1A1BCHECHRM1
SCHEMBL4491778 0.64 ALDH1A1 (0.61) ACHEKDM4EALDH1A1LMNABCHE
SCHEMBL28500602 0.64 ALDH1A1 (0.50) ACHEALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430485-A2 Quinoline compound UBE INDUSTRIES, LTD. (JP) 1991-06-05 EP claimed
EP-0430485-A2 Quinoline compound UBE INDUSTRIES, LTD. (JP) 1991-06-05 EP disclosed