SCHEMBL13869999

SCHEMBL13869999

Fc1cc(F)c(Cc2c(Cl)nc(-c3ccncc3)nc2NCC(F)(F)F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
SGK1 O00141 2/20 0.36
LATS1 O95835 5/20 0.35
LATS2 Q9NRM7 2/20 0.35
ROCK2 O75116 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCQ Q04759 1/20 0.35
ROCK1 Q13464 1/20 0.35
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
PRKCI P41743 5/20 0.35
ABCG2 Q9UNQ0 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL13870001 0.87 PDE5A (0.41) POLBLMNAHPGDMAPTABCG2
SCHEMBL4016508 0.84 POLB (0.39) POLBSGK1LATS1LATS2ROCK2
SCHEMBL13869998 0.84 MAT2A (0.31) SGK1
SCHEMBL13870003 0.82 NPC1 (0.43) LMNAMAPTALDH1A1
SCHEMBL13869995 0.82 NPC1 (0.34)
SCHEMBL13870040 0.82 SGK1 (0.32) SGK1ABCG2
SCHEMBL13870013 0.82 ABCG2 (0.37) LMNAHPGDMAPTABCG2ALDH1A1
SCHEMBL13870046 0.80 PRKD1 (0.34) SGK1LMNA
SCHEMBL13870015 0.80 MAPT (0.36) POLBHPGDMAPTHDAC6ALDH1A1
SCHEMBL13870009 0.79 HDAC6 (0.37) HDAC6

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-7524849-B2 Antitumor agents to treat multiple drug resistant tumors; promoters of microtubule polymerization; etherification WYETH HOLDINGS CORPORATION (US) 2009-04-28 US disclosed