SCHEMBL11307262

SCHEMBL11307262

O=C(Oc1[nH]ncc1C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
NOD2 Q9HC29 1/20 0.45
CCNE2 O96020 5/20 0.45
CCNE1 P24864 5/20 0.45
CDK2 P24941 5/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
CCNB2 O95067 3/20 0.43
CDK1 P06493 3/20 0.43
CCNB1 P14635 3/20 0.43
CCNB3 Q8WWL7 3/20 0.43
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
AKR1C3 P42330 1/20 0.41
MAPT P10636 1/20 0.40
F2 P00734 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
SCHEMBL11176218 0.79 CCNE2 (0.47) ALDH1A1SMN1; SMN2GAATSHRHTT
SCHEMBL11201621 0.73 GAA (0.52) ALDH1A1SMN1; SMN2GAATSHRHTT
SCHEMBL11309362 0.69 SLC6A3 (0.69) ALDH1A1SMN1; SMN2GAATSHRKMT2A
SCHEMBL20797734 0.69 LMNA (0.52) ALDH1A1SMN1; SMN2GAATSHRKMT2A
SCHEMBL27871772 0.67 KMT2A (0.50) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL10801840 0.67 NPC1 (0.51) ALDH1A1SMN1; SMN2GAATSHRCDK2
SCHEMBL31666084 0.66 LMNA (0.44) ALDH1A1SMN1; SMN2GAATSHRKMT2A
SCHEMBL8206009 0.65 PARP10 (0.72) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL5551848 0.65 LMNA (0.64) ALDH1A1SMN1; SMN2GAATSHRHTT
SCHEMBL29447165 0.64 AKR1C3 (0.85) ALDH1A1GAATSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56043271-A None JP disclosed
JP-56043270-A None JP disclosed
JP-S5643271-A PRODUCTION OF 4-BENZOYL-5-HYDROXYPYRAZOLE ISHIHARA SANGYO KAISHA LTD 1981-04-21 JP disclosed
JP-S5643270-A PRODUCTION OF 4-BENZOYL-5-HYDROXYPYRAZOLE ISHIHARA SANGYO KAISHA LTD 1981-04-21 JP disclosed