SCHEMBL3469650

SCHEMBL3469650

O=C(O)C(Cc1cnn(Cc2ccc(F)cc2)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
MAPT P10636 4/20 0.52
HSD17B10 Q99714 3/20 0.47
CREBBP Q92793 1/20 0.46
TCF4 P15884 1/20 0.46
CTNNB1 P35222 1/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 1/20 0.45
GBA1 P04062 1/20 0.43
RAB9A P51151 2/20 0.42
HDAC2 Q92769 1/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
SCD5 Q86SK9 1/20 0.41
NR1I2 O75469 1/20 0.40

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
SCHEMBL3096428 0.87 HSD17B10 (0.55) LMNAMAPTHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL3471108 0.87 L3MBTL1 (0.53) LMNAMAPTHSD17B10CREBBPALDH1A1
SCHEMBL3103910 0.87 LMNA (0.45) LMNAMAPTHSD17B10CREBBPTCF4
SCHEMBL3469641 0.83 KLKB1 (0.44) LMNAMAPTHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL3470506 0.82 GAA (0.48) LMNAMAPTHSD17B10ALDH1A1KDM4E
SCHEMBL3103633 0.82 LMNA (0.46) LMNAMAPTCREBBPTCF4CTNNB1
SCHEMBL3097443 0.80 ALDH1A1 (0.55) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL3085851 0.79 LMNA (0.61) LMNAMAPTHSD17B10CREBBPTCF4
SCHEMBL3092958 0.78 GRM2 (0.41) LMNAMAPTHSD17B10CREBBPTCF4
SCHEMBL949903 0.78 HSD17B10 (0.61) LMNAMAPTHSD17B10CREBBPTCF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP disclosed