SCHEMBL21765332

SCHEMBL21765332

Nc1ccc(Oc2ccc(C3CC3)cc2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
ALDH1A1 P00352 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MITF O75030 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
SCHEMBL21756941 0.90 MAPT (0.45) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21756889 0.84 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12220514 0.83 ESR2 (0.42) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10049050 0.83 ESR2 (0.44) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5682640 0.83 HAO1 (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10033588 0.81 SMN1; SMN2 (0.38) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10017553 0.80 SLC6A4 (0.41) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17722779 0.80 MAPT (0.37) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17720303 0.80 ESR2 (0.40) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21770055 0.80 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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
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