SCHEMBL9851378

SCHEMBL9851378

Nc1c2c(nc3cc(Cl)ccc13)N(Cc1cccc(O)c1)CCC2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.48
BCHE P06276 7/20 0.48
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
CHRM1 P11229 1/20 0.46
EPHX2 P34913 1/20 0.46
MEN1 O00255 1/20 0.39

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
SCHEMBL9851360 0.85 ACHE (0.51) ACHEBCHEKMT2AKDM4EALDH1A1
SCHEMBL9851341 0.78 ALDH1A1 (0.62) ACHEBCHEKMT2AKDM4EALDH1A1
SCHEMBL4491778 0.74 ALDH1A1 (0.61) ACHEBCHEKMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9851357 0.73 ALDH1A1 (0.60) ACHEBCHEKMT2AKDM4EALDH1A1
SCHEMBL9851342 0.72 KMT2A (0.62) ACHEBCHEKMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5579198 0.71 KDM4E (0.85) ACHEBCHEKMT2AKDM4EALDH1A1
SCHEMBL1110808 0.70 ALDH1A1 (0.73) ACHEBCHEKMT2AKDM4EALDH1A1
SCHEMBL9851389 0.69 KMT2A (0.47) ACHEBCHEKMT2AKDM4EALDH1A1
SCHEMBL9851398 0.69 ACHE (0.52) ACHEKMT2AKDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL9851346 0.68 KMT2A (0.60) ACHEBCHEKMT2AKDM4EALDH1A1

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