SCHEMBL24631663

SCHEMBL24631663

COC(=O)C1=Cc2ccccc2Oc2cccnc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
LMNA P02545 2/20 0.44
TRPA1 O75762 3/20 0.41
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP2 O95551 1/20 0.37
ALOX5 P09917 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX4 Q99571 1/20 0.36
MAP2K1 Q02750 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
IDO1 P14902 1/20 0.36
PTPN1 P18031 1/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL30134806 1.00 CA12 (0.48) CA12CA9LMNATRPA1TDP1
SCHEMBL24631371 0.72 ALDH1A1 (0.43) CA12CA9LMNATRPA1ALDH1A1
SCHEMBL962986 0.71 MAPT (0.50) CA12CA9LMNATRPA1TDP1
SCHEMBL30134836 0.71 CA12 (0.49) CA12CA9LMNATRPA1ALDH1A1
SCHEMBL24631402 0.71 CA12 (0.49) CA12CA9LMNATRPA1ALDH1A1
SCHEMBL24631636 0.68 ALDH1A1 (0.38) CA12CA9LMNATRPA1ALDH1A1
SCHEMBL9949074 0.66 CA12 (0.54) CA12CA9LMNATRPA1TDP1
SCHEMBL10094749 0.66 LMNA (0.45) CA12CA9LMNATRPA1ALDH1A1
SCHEMBL9363066 0.66 TSHR (0.47) CA12CA9LMNATDP1ALDH1A1
SCHEMBL812065 0.66 KDM4E (0.59) LMNATDP1ALDH1A1L3MBTL1MAP2K1

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-2022217265-A1 TAAR1 AND SEROTONIN MODULATORS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 WO disclosed