SCHEMBL8625972

SCHEMBL8625972

Cc1ccccc1OCc1cccc(Oc2cc(C(F)(F)F)nn2C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
TGFBR1 P36897 1/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 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
SCHEMBL8694286 0.89 KMT2A (0.45) ADORA2AADORA1ALDH1A1KMT2ANPC1
SCHEMBL8629274 0.88 KMT2A (0.46) ADORA2AADORA1ALDH1A1KMT2ATGFBR1
SCHEMBL8695612 0.84 MAPT (0.41) ADORA2AADORA1ALDH1A1KMT2ANPC1
SCHEMBL8692599 0.84 ADORA2A (0.41) ADORA2AADORA1ALDH1A1KMT2ANPC1
SCHEMBL8692231 0.83 ADORA2A (0.40) ADORA2AADORA1ALDH1A1KMT2ANPC1
SCHEMBL8784535 0.83 ADORA2A (0.41) ADORA2AADORA1ALDH1A1KMT2AMAPT
SCHEMBL8696729 0.82 GRM5 (0.41) ADORA2AADORA1ALDH1A1KMT2A
SCHEMBL8693775 0.81 KMT2A (0.43) ADORA2AADORA1ALDH1A1KMT2AMAPT
SCHEMBL8693809 0.81 KMT2A (0.43) ADORA2AADORA1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8694178 0.80 KMT2A (0.43) ADORA2AADORA1ALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5807804-A CONTROLLING WEEDS AMERICAN CYANAMID COMPANY (US) 1998-09-15 US claimed
EP-0792872-A2 2,6-substituted pyridine derivatives, their preparation and their use as herbicidal agents American Cyanamid Company (US) 1997-09-03 EP claimed
US-5807804-A CONTROLLING WEEDS AMERICAN CYANAMID COMPANY (US) 1998-09-15 US disclosed
US-5710106-A Substituted pyridine herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-01-20 US disclosed
EP-0792872-A2 2,6-substituted pyridine derivatives, their preparation and their use as herbicidal agents American Cyanamid Company (US) 1997-09-03 EP disclosed