SCHEMBL7992000

SCHEMBL7992000

CCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)[nH]c1-c1ccc(C)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSP90AA1 P07900 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
ALOX5 P09917 1/20 0.43
DHODH Q02127 1/20 0.42
MLYCD O95822 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA1 P30542 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
RAB9A P51151 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 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
SCHEMBL7988114 0.85 PIN1 (0.48) DHODH
SCHEMBL7988569 0.84 ALOX5 (0.48) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL7989950 0.84 MAPK13 (0.51) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL7989451 0.84 ALOX5 (0.58) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL7989597 0.83 SIRT2 (0.53) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL7990062 0.83 SIRT2 (0.53) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL17803252 0.82 KDM4E (0.58) MAPTKDM4EMEN1KMT2AHSP90AA1
SCHEMBL7992080 0.81 MAPT (0.41) MAPTKDM4EDHODHTP53SMN1; SMN2
SCHEMBL7977684 0.80 SIRT2 (0.60) MAPTKDM4EMEN1KMT2ATP53
SCHEMBL7991922 0.79 AR (0.50) MAPTKDM4EMEN1KMT2AHSP90AA1

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed