SCHEMBL9851360

SCHEMBL9851360

COc1cccc(CN2CCCc3c2nc2cc(Cl)ccc2c3N)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.51
BCHE P06276 4/20 0.51
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM1 P11229 1/20 0.43
EPHX2 P34913 1/20 0.43
MEN1 O00255 3/20 0.43
DRD2 P14416 1/20 0.41
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CLPP Q16740 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9851378 0.85 ACHE (0.48) ACHEBCHEMAPTKMT2AKDM4E
SCHEMBL9851389 0.85 KMT2A (0.47) ACHEBCHEMAPTKMT2AKDM4E
SCHEMBL9851341 0.75 ALDH1A1 (0.62) ACHEBCHEMAPTKMT2AKDM4E
SCHEMBL4491778 0.72 ALDH1A1 (0.61) ACHEBCHEMAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL9851357 0.71 ALDH1A1 (0.60) ACHEBCHEMAPTKMT2AKDM4E
SCHEMBL9851396 0.71 ACHE (0.55) ACHEBCHEKDM4EALDH1A1LMNA
SCHEMBL9851342 0.70 KMT2A (0.62) ACHEBCHEMAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL5579198 0.69 KDM4E (0.85) ACHEBCHEMAPTKMT2AKDM4E
SCHEMBL1110808 0.68 ALDH1A1 (0.73) ACHEBCHEMAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL5578330 0.67 KDM4E (0.73) ACHEBCHEMAPTKMT2AKDM4E

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