SCHEMBL530604

SCHEMBL530604

Clc1ccc(NCC2CCCNC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.44
HTR3A P46098 1/20 0.44
KDM1A O60341 1/20 0.42
ACP1 P24666 1/20 0.42

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
SCHEMBL20240266 0.92 LTA4H (0.48) CHEK1
SCHEMBL21605932 0.84 KDM1A (0.44) CHEK1KDM1AACP1
SCHEMBL19377884 0.84 CCNT1 (0.43) KDM1AACP1
SCHEMBL21605922 0.84 KDM1A (0.44) CHEK1KDM1AACP1
SCHEMBL8178820 0.84 KMT2A (0.49) CHEK1KDM1AACP1
SCHEMBL5605238 0.80 PRMT5 (0.45) KDM1A
SCHEMBL22414314 0.80 NPC1 (0.47) KDM1A
SCHEMBL14740667 0.79 KMT2A (0.49)
SCHEMBL13769159 0.79 KDM1A (0.47) CHEK1KDM1A
SCHEMBL240037 0.77 NPC1 (0.56)

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-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed