SCHEMBL8947327

SCHEMBL8947327

O=C(O)Cn1nnnc1-c1ccc(C(=O)N2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.60
ALDH1A1 P00352 6/20 0.60
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TSHR P16473 3/20 0.50
MAPK1 P28482 1/20 0.50
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.43
MLYCD O95822 1/20 0.43
USP2 O75604 1/20 0.43
MAPK14 Q16539 1/20 0.42
HSD11B1 P28845 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL8947162 0.85 HPGD (0.49) HPGDALDH1A1NPC1RAB9ATSHR
SCHEMBL8947331 0.82 ALDH1A1 (0.84) HPGDALDH1A1LMNAHSD11B1
SCHEMBL8947183 0.81 ALDH1A1 (0.73) HPGDALDH1A1LMNAHSD11B1
SCHEMBL5966727 0.77 ALDH1A1 (0.75) HPGDALDH1A1NPC1RAB9AHSD11B1
SCHEMBL8947281 0.77 ALDH1A1 (0.75) HPGDALDH1A1HSD11B1
SCHEMBL8947261 0.77 ALDH1A1 (0.75) HPGDALDH1A1HSD11B1
SCHEMBL5966693 0.76 ALDH1A1 (0.74) HPGDALDH1A1TSHRHSD11B1
SCHEMBL8947260 0.76 ALDH1A1 (0.73) HPGDALDH1A1LMNAHSD11B1
SCHEMBL8947164 0.76 ALDH1A1 (1.00) HPGDALDH1A1HSD11B1
SCHEMBL8947199 0.76 ALDH1A1 (0.73) HPGDALDH1A1HSD11B1

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