SCHEMBL9469700

SCHEMBL9469700

O=C(O)Cn1nnnc1-c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CMA1 P23946 1/20 0.48
P2RX7 Q99572 3/20 0.47
KDM4C Q9H3R0 1/20 0.46
HTR2C P28335 1/20 0.44
AKR1B1 P15121 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSD11B1 P28845 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 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
SCHEMBL8947097 0.82 ALDH1A1 (0.60) ALDH1A1HPGDP2RX7KDM4CMAPT
SCHEMBL8947245 0.81 ALDH1A1 (0.55) ALDH1A1HPGDP2RX7KDM4CMAPT
SCHEMBL9170587 0.80 P2RX7 (0.55) ALDH1A1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL9568847 0.77 ALDH1A1 (0.48) ALDH1A1HPGDCMA1KDM4CMAPT
SCHEMBL9689917 0.77 ALDH1A1 (0.48) ALDH1A1HPGDCMA1KDM4CALOX15
SCHEMBL5966693 0.77 ALDH1A1 (0.74) ALDH1A1HPGDP2RX7KDM4CKDM4E
SCHEMBL9469007 0.76 MAPT (0.48) ALDH1A1HPGDCMA1KDM4CMAPT
SCHEMBL9469451 0.75 ALDH1A1 (0.62) ALDH1A1HPGDKDM4CAKR1B1KDM4E
SCHEMBL8947261 0.75 ALDH1A1 (0.75) ALDH1A1HPGDP2RX7KDM4CKDM4E
SCHEMBL9688576 0.75 ALDH1A1 (0.51) ALDH1A1HPGDP2RX7KDM4CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5252592-A Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1993-10-12 US claimed
EP-0495526-A1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-07-22 EP claimed
JP-4244070-A None JP disclosed
US-5252592-A Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1993-10-12 US disclosed
US-5252592-A Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1993-10-12 US disclosed
JP-H04244070-A TETRAZOLE ACETIC ACID DERIVATIVE HAVING ALDOSE REDUCTASE INHIBITORY ACTIVITY WAKAMOTO PHARMACEUT CO LTD 1992-09-01 JP disclosed
EP-0495526-A1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-07-22 EP disclosed
EP-0495526-A1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-07-22 EP disclosed