SCHEMBL9851333

SCHEMBL9851333

CN1CCCCc2c1nc1cccc(F)c1c2N

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.61
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
BCHE P06276 5/20 0.45
GRIN1 Q05586 5/20 0.45
GRIN2A Q12879 5/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 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
SCHEMBL9851349 0.91 ACHE (0.55) ACHEKDM4EALDH1A1LMNATSHR
SCHEMBL9851350 0.85 ACHE (0.61) ACHEKDM4EALDH1A1LMNATSHR
SCHEMBL9851343 0.81 ACHE (0.51) ACHEKDM4EALDH1A1LMNABCHE
SCHEMBL5045645 0.79 KDM4E (0.66) ACHEKDM4EALDH1A1LMNATSHR
SCHEMBL9851392 0.78 ACHE (0.53) ACHEKDM4EALDH1A1LMNATSHR
SCHEMBL9583084 0.76 ACHE (1.00) ACHEKDM4EALDH1A1LMNATSHR
SCHEMBL9583887 0.75 ACHE (0.97) ACHEKDM4EALDH1A1LMNATSHR
SCHEMBL9851398 0.75 ACHE (0.52) ACHEKDM4EALDH1A1LMNAGRIN1
SCHEMBL9851336 0.75 MEN1 (0.68) ACHEKDM4EALDH1A1LMNATSHR
Water SCHEMBL9851375 0.74 ACHE (0.45) ACHEKDM4EALDH1A1LMNATSHR

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