SCHEMBL8478285

SCHEMBL8478285

CNc1cc(Oc2cc(C(F)(F)F)nn2C)nc(Oc2cc(C(F)(F)F)nn2C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
KMT2A Q03164 1/20 0.46
TGFBR1 P36897 5/20 0.45
ALDH1A1 P00352 3/20 0.39
PTGS2 P35354 3/20 0.34
PTGS1 P23219 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 2/20 0.33
ALOX5 P09917 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL8932289 0.84 KMT2A (0.45) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL6280223 0.84 ADORA2A (0.50) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL6281244 0.84 ADORA2A (0.50) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL5547806 0.81 KMT2A (0.50) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL8475741 0.79 ADORA2A (0.46) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL6950881 0.76 ADORA2A (0.44) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL6281252 0.75 ADORA2A (0.46) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL6330638 0.75 KMT2A (0.44) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL7467818 0.75 KMT2A (0.50) ADORA2AADORA1KMT2ATGFBR1ALDH1A1
SCHEMBL5553159 0.75 KMT2A (0.50) ADORA2AADORA1KMT2ATGFBR1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922738-A Heteroarylpyridine herbicides AMERICAN CYANAMID COMPANY (US) 1999-07-13 US claimed
US-5922738-A Heteroarylpyridine herbicides AMERICAN CYANAMID COMPANY (US) 1999-07-13 US disclosed