SCHEMBL16775441

SCHEMBL16775441

Cc1ccc(F)cc1-n1ccc(-c2cccc(C(=O)O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.43
MAP2K4 P45985 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
TP53 P04637 1/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
MAPK14 Q16539 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MYC P01106 1/20 0.38
ERN1 O75460 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL181092 0.88 KMO (0.45) KMOMAP2K4MRGPRX4RXRARXRB
SCHEMBL16775444 0.86 BCL2L1 (0.49) MAP2K4TP53RXRARXRBMAPK14
SCHEMBL181683 0.85 KMO (0.51) KMOMRGPRX4TP53RXRARXRB
SCHEMBL10194261 0.81 KMO (0.49) KMOMAP2K4MRGPRX4RXRARXRB
SCHEMBL181781 0.81 MRGPRX4 (0.44) KMOMRGPRX4RXRARXRBERN1
SCHEMBL10194254 0.80 KMO (0.51) KMORXRARXRBERN1
SCHEMBL2710952 0.80 KMO (0.47) KMOMAP2K4RXRARXRBKDM4C
SCHEMBL16775442 0.79 METTL3 (0.49) KMORXRARXRBLMNAGAA
SCHEMBL2710097 0.78 KMO (0.49) KMOMAP2K4RXRARXRBLMNA
SCHEMBL16775452 0.78 KMO (0.43) KMORXRARXRBMAPK14LMNA

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