SCHEMBL9023404

SCHEMBL9023404

O=C(ON1CCC(CSc2ccccc2)C1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.40
RBP4 P02753 1/20 0.38
TTR P02766 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
GRIN2B Q13224 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
FKBP1A P62942 2/20 0.34
TEAD1 P28347 1/20 0.34
TEAD3 Q99594 1/20 0.34
GRIN2A Q12879 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2B P41595 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL9022811 0.82 POLB (0.42) ALDH1A1HSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL4327969 0.74 TEAD1 (0.58) ALDH1A1SMN1; SMN2RAB9ANPC1TEAD1
SCHEMBL9023290 0.74 KDM4E (0.55) KDM4ESMN1; SMN2
SCHEMBL17542044 0.73 CYP2C9 (0.43) ALDH1A1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL15954490 0.72 CHRM5 (0.35)
SCHEMBL9022637 0.72
SCHEMBL7723274 0.72 ACHE (0.59) KDM4E
SCHEMBL6399437 0.72 ACE (0.36) KDM4E
SCHEMBL28624652 0.71 CHRM3 (0.45)
SCHEMBL15477388 0.71 SMN1; SMN2 (0.48) AGTR2ALDH1A1HSD17B10SMN1; SMN2GRIN2B

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
EP-0500835-B1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE DAE WOONG PHARMA (KR) 1996-12-27 EP disclosed
EP-0500835-A1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE. DAE WOONG PHARMA (KR) 1992-09-02 EP disclosed
WO-1992004342-A1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1992-03-19 WO disclosed