SCHEMBL22817985

SCHEMBL22817985

O=C(CCc1ccc(OC(=O)c2c3ccccc3nc3ccccc23)cc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TOP2A P11388 3/20 0.46
TOP2B Q02880 3/20 0.46
KMT2A Q03164 2/20 0.44
FFAR1 O14842 3/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
AKR1B1 P15121 2/20 0.41
ALDH1A1 P00352 1/20 0.40
APP P05067 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
SCHEMBL4623917 0.82 THRA (0.48) MAPK1L3MBTL1SMN1; SMN2KDM4ELMNA
SCHEMBL7888296 0.80 MAPT (0.44) SMN1; SMN2KDM4ETOP2ATOP2BMAPT
SCHEMBL18118665 0.78 KMT2A (0.56) MAPK1L3MBTL1SMN1; SMN2KDM4ELMNA
SCHEMBL5182173 0.77 SMN1; SMN2 (0.51) MAPK1L3MBTL1SMN1; SMN2KDM4ELMNA
SCHEMBL5705535 0.76 MAPT (0.50) L3MBTL1KDM4ELMNATDP1KMT2A
SCHEMBL304176 0.76 TDP1 (0.78) MAPK1L3MBTL1LMNATDP1KMT2A
SCHEMBL7276062 0.76 FFAR1 (0.74) LMNACYP1A2CYP2C19TDP1FFAR1
Bicarbonate SCHEMBL7699565 0.75 TDP1 (0.75) MAPK1L3MBTL1LMNATDP1KMT2A
SCHEMBL28207503 0.75 TDP1 (0.75) MAPK1L3MBTL1LMNATDP1KMT2A
Ammonia Solution, Strong SCHEMBL28588274 0.75 TDP1 (0.75) MAPK1L3MBTL1LMNATDP1KMT2A

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
US-20200399683-A1 Composition and Methods For Affinity Directed Enrichment of Rare Species SPARK MOLECULAR DIAGNOSTICS, INC. 2020-12-24 US disclosed