SCHEMBL9469455

SCHEMBL9469455

CC(=O)On1nnnc1-c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGT O15294 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK10 P53779 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 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
SCHEMBL9568787 0.82 HSD11B1 (0.46) ALDH1A1LMNAMGLLCYP1A2TSHR
SCHEMBL9568778 0.81 SIGMAR1 (0.38) MGLL
SCHEMBL9568762 0.76 POLB (0.51) ALDH1A1HPGDKDM4EMAPTSLC6A3
SCHEMBL7114830 0.73 BRD4 (0.40) KDM4EMAPTMGLLHSD17B10
SCHEMBL9469004 0.73 TDP1 (0.42) ALDH1A1KDM4ELMNAMAPTMAPK10
SCHEMBL9469451 0.72 ALDH1A1 (0.62) ALDH1A1HPGDKDM4ELMNAMAPK10
SCHEMBL9542013 0.71 TSHR (0.46) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL8791363 0.71 NQO2 (0.42) ALDH1A1HPGDKDM4EMAPTMGLL
SCHEMBL8790766 0.70 KMT2A (0.48) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL8791403 0.70 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262433-A Antidiabetic agents WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1993-11-16 US disclosed
US-5252592-A Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1993-10-12 US disclosed
EP-0528277-A1 Tetrazoleacetic acid derivatives aldose reductase inhibitors Wakamoto Pharmaceutical Co., Ltd. (JP) 1993-02-24 EP disclosed