SCHEMBL27674201

SCHEMBL27674201

NCc1ccccc1-n1nc(C2CCCC2)cc1Nc1ncccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.41
KCNJ6 P48051 10/20 0.40
KCNJ5 P48544 10/20 0.40
KCNJ3 P48549 10/20 0.40
LMNA P02545 4/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PKM P14618 2/20 0.37
HTT P42858 1/20 0.37
GMNN O75496 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
UGT1A1 P22309 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 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
SCHEMBL28759608 0.99 DHODH (0.40) DHODHKCNJ6KCNJ5KCNJ3LMNA
SCHEMBL27637170 0.87 KCNJ6 (0.43) KCNJ6KCNJ5KCNJ3LMNAPKM
SCHEMBL3860022 0.86 KCNJ6 (0.46) DHODHKCNJ6KCNJ5KCNJ3LMNA
SCHEMBL27637083 0.86 KCNJ6 (0.42) KCNJ6KCNJ5KCNJ3LMNAPKM
SCHEMBL3975958 0.85 KCNJ6 (0.46) DHODHKCNJ6KCNJ5KCNJ3LMNA
SCHEMBL27654191 0.84 DHODH (0.44) DHODHLMNAGAAMEN1KMT2A
SCHEMBL27729504 0.83 KCNJ6 (0.45) KCNJ6KCNJ5KCNJ3LMNAPKM
SCHEMBL27654247 0.80 DHODH (0.47) DHODHLMNAMEN1KMT2APKM
SCHEMBL3975262 0.74 MAPK14 (0.47) DHODHLMNAGAAMEN1KMT2A
SCHEMBL3979959 0.73 KCNJ6 (0.46) KCNJ6KCNJ5KCNJ3LMNAHTT

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
CN-1946715-A Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORP (US) 2007-04-11 CN claimed