SCHEMBL2854355

SCHEMBL2854355

CS(=O)(=O)c1cccc(NC(=O)c2cccnc2)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.69
KCNK3 O14649 1/20 0.67
TSHR P16473 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HTT P42858 1/20 0.63
LMNA P02545 2/20 0.62
MAPT P10636 1/20 0.62
HIF1A Q16665 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 3/20 0.60
TDP1 Q9NUW8 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
ROCK2 O75116 1/20 0.57
ROCK1 Q13464 1/20 0.57

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
SCHEMBL2852065 0.85 SMN1; SMN2 (0.74) BRAFKCNK3SMN1; SMN2HTTLMNA
SCHEMBL27817425 0.83 MEN1 (0.68) KCNK3SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL3933255 0.82 BRAF (1.00) BRAFMAPTL3MBTL1
SCHEMBL259177 0.81 TDP1 (0.78) BRAFKCNK3TSHRSMN1; SMN2HTT
SCHEMBL30678437 0.80 RXFP1 (0.58) BRAFKCNK3TSHRHTTLMNA
SCHEMBL27181470 0.80 MEN1 (0.73) KCNK3SMN1; SMN2HTTLMNAMAPT
SCHEMBL1520222 0.79 KCNK3 (0.76) KCNK3TSHRSMN1; SMN2HTTLMNA
SCHEMBL10940026 0.79 KCNK3 (0.81) KCNK3TSHRSMN1; SMN2HTTLMNA
SCHEMBL24448266 0.78 KMT2A (0.61) KCNK3TSHRSMN1; SMN2HTTLMNA
SCHEMBL14372350 0.78 RXFP1 (0.66) BRAFKCNK3LMNAHIF1AKMT2A

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed