SCHEMBL8947300

SCHEMBL8947300

O=C(O)Cn1nnnc1-c1cccc(F)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
HPGD P15428 1/20 0.70
HSD11B1 P28845 3/20 0.47
POLB P06746 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
HTT P42858 1/20 0.41
DCLRE1B Q9H816 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
STAT5B P51692 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
SCHEMBL8947275 0.86 ALDH1A1 (0.61) ALDH1A1HPGDHSD11B1POLBKDM4C
SCHEMBL8947167 0.84 HPGD (0.50) ALDH1A1HPGDHSD11B1POLBMEN1
SCHEMBL5966693 0.84 ALDH1A1 (0.74) ALDH1A1HPGDHSD11B1POLBKDM4C
SCHEMBL8947128 0.83 MAPK1 (0.53) ALDH1A1HPGDPOLBMEN1CYP1A2
SCHEMBL8947354 0.83 POLB (0.65) ALDH1A1HPGDHSD11B1POLBMEN1
SCHEMBL8947164 0.82 ALDH1A1 (1.00) ALDH1A1HPGDHSD11B1POLBKDM4C
SCHEMBL8947261 0.81 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1POLBKDM4C
SCHEMBL8947331 0.80 ALDH1A1 (0.84) ALDH1A1HPGDHSD11B1POLBKDM4C
SCHEMBL8947238 0.80 RECQL (0.60) ALDH1A1HPGDHSD11B1POLBKDM4C
SCHEMBL28781397 0.79 ALDH1A1 (0.53) ALDH1A1HPGDHSD11B1POLBKDM4C

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
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed