SCHEMBL7464152

SCHEMBL7464152

N#CCc1ccc2[nH]cc(C(=O)NN)c2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 5/20 0.45
CFTR P13569 1/20 0.43
PYGL P06737 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
KMT2A Q03164 1/20 0.40
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
NR4A2 P43354 1/20 0.39

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
SCHEMBL7461028 0.82 NHERF1 (0.48) NHERF1PYGLGABRA1GABRB2F7
SCHEMBL7461248 0.82 NHERF1 (0.51) NHERF1PYGLGABRA1GABRB2KMT2A
SCHEMBL28413029 0.77 GABRA1 (0.48) NHERF1GABRA1GABRB2KMT2AF7
SCHEMBL2649037 0.77 SPR (0.53) NHERF1KMT2ALMNA
SCHEMBL26204080 0.76 NR4A2 (0.64) GABRA1GABRB2KMT2ANR4A2
SCHEMBL30088334 0.72 CSNK2A1 (0.54) CSNK2A1
SCHEMBL21805770 0.72 CSNK2A1 (0.54) CSNK2A1
SCHEMBL474836 0.71 ALDH1A1 (0.66) GABRA1GABRB2KMT2ALMNARAB9A
SCHEMBL8785278 0.70 HTR1A (0.67) CSNK2A1KMT2A
SCHEMBL7455707 0.70 MAPT (0.45) NHERF1GABRA1GABRB2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183252-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-03-06 EP disclosed
WO-2000071537-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-11-30 WO disclosed