SCHEMBL21756943

SCHEMBL21756943

CC(C)c1ccc(I)cc1CN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2A13 Q16696 6/20 0.45
KCNH2 Q12809 3/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP2C9 P11712 2/20 0.45
ALOX15 P16050 1/20 0.45
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL26137532 0.84 KCNH2 (0.59) MAPTMEN1KMT2ACYP2A13KCNH2
SCHEMBL21765349 0.79 HSD17B10 (0.51) MAPTKMT2ACYP2A13HSD17B10CYP2C9
SCHEMBL4111089 0.78 CYP2A13 (0.63) MAPTMEN1KMT2ACYP2A13KCNH2
SCHEMBL1438683 0.77 CYP2A13 (0.66) CYP2A13HSD17B10CYP2C9ALOX15HIF1A
SCHEMBL14200319 0.75 KCNH2 (0.59) MAPTMEN1KMT2ACYP2A13KCNH2
SCHEMBL21756936 0.74 CYP2A13 (0.47) MAPTMEN1KMT2ACYP2A13KCNH2
SCHEMBL1613567 0.74 CYP2C9 (0.53) MAPTMEN1KMT2ACYP2A13HSD17B10
SCHEMBL15546497 0.74 CYP2A13 (0.61) MAPTKMT2ACYP2A13HSD17B10CYP2C9
SCHEMBL26505561 0.73 MAPT (0.51) MAPTMEN1KMT2ACYP2A13KCNH2
SCHEMBL11161472 0.72 MAPT (0.57) MAPTMEN1KMT2ACYP2A13KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020039094-A1 PHENOXY(HETERO)ARYL ETHERS OF ANTIPROLIFERATIVE ACTIVITY Xeniopro GmbH (DE) 2020-02-27 WO disclosed
WO-2020039088-A2 NOVEL COMPOUNDS Xeniopro GmbH (DE) 2020-02-27 WO disclosed
WO-2020039092-A2 NOVEL AROMATIC MOLECULES Xeniopro GmbH (DE) 2020-02-27 WO disclosed