SCHEMBL8947360

SCHEMBL8947360

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
GPR35 Q9HC97 1/20 0.48
HSD11B1 P28845 2/20 0.43
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
CCR3 P51677 5/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPN11 Q06124 2/20 0.40
CASR P41180 1/20 0.39
PTPN1 P18031 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4C Q9H3R0 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
SCHEMBL8947275 0.80 ALDH1A1 (0.61) ALDH1A1HPGDHSD11B1MEN1CYP1A2
SCHEMBL5966693 0.78 ALDH1A1 (0.74) ALDH1A1HPGDHSD11B1HDAC6KDM4C
SCHEMBL8947300 0.78 ALDH1A1 (0.70) ALDH1A1HPGDHSD11B1MEN1CYP1A2
SCHEMBL8947261 0.76 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1HDAC6KDM4C
SCHEMBL8947331 0.75 ALDH1A1 (0.84) ALDH1A1HPGDHSD11B1HDAC6KDM4C
SCHEMBL8947238 0.75 RECQL (0.60) ALDH1A1HPGDHSD11B1NPC1RAB9A
SCHEMBL8947354 0.75 POLB (0.65) ALDH1A1HPGDHSD11B1MEN1CYP1A2
SCHEMBL28781397 0.74 ALDH1A1 (0.53) ALDH1A1HPGDHSD11B1MEN1CYP1A2
SCHEMBL8947307 0.74 ALDH1A1 (0.53) ALDH1A1HPGDHSD11B1MEN1KMT2A
SCHEMBL8947313 0.73 MAPT (0.44) HPGDMEN1CYP1A2CYP2C9CYP2C19

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