SCHEMBL10973261

SCHEMBL10973261

O=C(O)Cc1c[nH]nc1Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
BCAT2 O15382 1/20 0.43
AKR1B1 P15121 1/20 0.41
PTGS2 P35354 3/20 0.40
GAA P10253 4/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHODH Q02127 1/20 0.40
PDE4B Q07343 1/20 0.39
CXCL8 P10145 3/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL28014585 0.76 DHODH (0.54) MAPTALDH1A1MEN1KMT2APTPN7
SCHEMBL14808817 0.73 ZAP70 (0.45) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL28827947 0.73 KDM4E (0.33) MAPTALDH1A1AKR1B1PTGS2HPGD
SCHEMBL5381933 0.72 KDM4E (0.49) MAPTALDH1A1MEN1KMT2AAKR1B1
SCHEMBL11568973 0.72 MAPT (0.55) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL4667117 0.71 MAPT (0.46) MAPTALDH1A1MEN1KMT2APTGS2
SCHEMBL14811606 0.70 PDE4B (0.54) PDE4B
SCHEMBL361662 0.69 CXCL8 (0.67) BCAT2AKR1B1PTGS2CXCL8AKR1B10
SCHEMBL29622781 0.69 CXCL8 (0.67) BCAT2AKR1B1PTGS2CXCL8AKR1B10
SCHEMBL28397977 0.69 BCAT2 (0.50) MAPTALDH1A1BCAT2AKR1B1PTGS2

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-0053698-B1 5-AMINO-1-PHENYLPYRAZOLE-4-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, HERBICIDES CONTAINING THEM AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1985-01-09 EP disclosed