SCHEMBL19575423

SCHEMBL19575423

CN1CCCC(NC2CCN(C)C2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
KAT2B Q92831 10/20 0.38
BPTF Q12830 1/20 0.38
KDM1A O60341 1/20 0.38
PIM1 P11309 1/20 0.37
NCF1 P14598 1/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34
EHMT2 Q96KQ7 2/20 0.34

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
SCHEMBL27630195 0.91 ALDH1A1 (0.42) ALDH1A1HSD17B10KAT2BBPTFKDM4E
SCHEMBL27630196 0.91 ALDH1A1 (0.42) ALDH1A1HSD17B10KAT2BBPTFKDM4E
SCHEMBL18912152 0.91 ALDH1A1 (0.42) ALDH1A1HSD17B10KAT2BBPTFKDM1A
SCHEMBL19575583 0.91 ALDH1A1 (0.48) ALDH1A1HSD17B10KAT2BBPTFKDM4E
SCHEMBL21872432 0.91 ALDH1A1 (0.42) ALDH1A1HSD17B10KAT2BBPTFKDM1A
SCHEMBL25103790 0.91 ALDH1A1 (0.42) ALDH1A1HSD17B10KAT2BBPTFKDM1A
SCHEMBL19575589 0.91 ALDH1A1 (0.48) ALDH1A1HSD17B10KAT2BBPTFKDM1A
SCHEMBL18379139 0.91 KDM1A (0.42) ALDH1A1HSD17B10KAT2BKDM1ANCF1
SCHEMBL18379222 0.91 KDM1A (0.42) ALDH1A1HSD17B10KAT2BKDM1ANCF1
SCHEMBL14472409 0.91 KDM1A (0.42) ALDH1A1HSD17B10KAT2BKDM1ANCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017191599-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2017-11-09 WO disclosed