SCHEMBL9697347

SCHEMBL9697347

O=C(O)n1ccc2ccc3ccccc3c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.45
TSHR P16473 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
WDR5 P61964 1/20 0.43
LDHA P00338 1/20 0.42
NOTUM Q6P988 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
HPGD P15428 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP2A6 P11509 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
SCHEMBL3830527 0.76 ALDH1A1 (0.43) TSHRRAB9AL3MBTL1WDR5LDHA
SCHEMBL30405639 0.76 RAB9A (0.41) TSHRRAB9AL3MBTL1NOTUMALDH1A1
SCHEMBL5635938 0.75 KDM4E (0.44) HPGDALDH1A1HSD17B10KDM4E
SCHEMBL30705807 0.74 FABP4 (0.45) TSHRRAB9AL3MBTL1NOTUM
SCHEMBL21055089 0.74 TSHR (0.40) TSHRRAB9AL3MBTL1NOTUMHPGD
SCHEMBL15971447 0.74 NOTUM (0.41) TSHRRAB9AL3MBTL1NOTUMALDH1A1
SCHEMBL31056496 0.74 NR4A1 (0.46) TSHRRAB9AL3MBTL1NOTUMNR4A1
SCHEMBL4048895 0.74 NOTUM (0.42) TSHRRAB9AL3MBTL1NOTUMHPGD
Hydrochloric Acid SCHEMBL31056543 0.73 NR4A1 (0.44) TSHRRAB9AL3MBTL1LDHANOTUM
SCHEMBL931955 0.72 TSHR (0.69) TSHRRAB9AL3MBTL1NOTUMHPGD

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-1992002219-A1 TETRACYCLIC AMINES USEFUL AS CEREBROVASCULAR AGENTS WARNER-LAMBERT COMPANY (US) 1992-02-20 WO claimed