SCHEMBL16775449

SCHEMBL16775449

CC(F)(F)c1ccccc1-n1ccc(-c2cccc(C(=O)O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.49
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
EPHX2 P34913 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PDK2 Q15119 1/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
TTR P02766 1/20 0.38
IDO1 P14902 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ERN1 O75460 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
DHODH Q02127 1/20 0.37

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
SCHEMBL2709568 0.90 EPHX2 (0.48) KMORXRARXRBEPHX2HDAC1
SCHEMBL181683 0.81 KMO (0.51) KMORXRARXRBLMNAGAA
SCHEMBL10194254 0.81 KMO (0.51) KMORXRARXRBHDAC6AKR1C3
SCHEMBL16775438 0.80 RXRA (0.52) KMORXRARXRBHDAC1HDAC6
SCHEMBL182385 0.79 KMO (0.51) KMORXRARXRBLMNAMEN1
SCHEMBL16775447 0.79 MEN1 (0.50) KMORXRARXRBHDAC1HDAC6
SCHEMBL2709321 0.78 KMO (0.48) KMORXRARXRBAKR1C3AKR1C2
SCHEMBL182259 0.78 TUBB4A (0.53) KMOERN1NPC1RAB9A
SCHEMBL2710868 0.78 KMO (0.50) KMORXRARXRBERN1MEN1
SCHEMBL2710486 0.76 KMO (0.59) KMORXRARXRBGAAMEN1

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-9051342-B2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation related diseases PTC THERAPEUTICS, INC. (US) 2015-06-09 US disclosed