SCHEMBL9469451

SCHEMBL9469451

O=C(O)Cn1nnnc1-c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
HPGD P15428 1/20 0.62
KDM4C Q9H3R0 1/20 0.49
HSD11B1 P28845 5/20 0.46
RPA1 P27694 1/20 0.42
AKR1B1 P15121 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MAPK10 P53779 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
SCHEMBL8947261 0.84 ALDH1A1 (0.75) ALDH1A1HPGDKDM4CHSD11B1KDM4E
SCHEMBL5966693 0.84 ALDH1A1 (0.74) ALDH1A1HPGDKDM4CHSD11B1KDM4E
SCHEMBL8947331 0.83 ALDH1A1 (0.84) ALDH1A1HPGDKDM4CHSD11B1LMNA
SCHEMBL9568758 0.81 ALDH1A1 (0.41) ALDH1A1HPGDHSD11B1KDM4ELMNA
SCHEMBL8947299 0.81 ALDH1A1 (0.66) ALDH1A1HPGDKDM4CHSD11B1HDAC6
SCHEMBL8947275 0.80 ALDH1A1 (0.61) ALDH1A1HPGDKDM4CHSD11B1KDM4E
SCHEMBL8947333 0.80 ALDH1A1 (0.65) ALDH1A1HPGDKDM4CHSD11B1LMNA
SCHEMBL9568773 0.79 ALDH1A1 (0.56) ALDH1A1HPGDKDM4CHSD11B1HDAC6
SCHEMBL5966727 0.78 ALDH1A1 (0.75) ALDH1A1HPGDKDM4CHSD11B1KDM4E
SCHEMBL8947281 0.78 ALDH1A1 (0.75) ALDH1A1HPGDKDM4CHSD11B1AKR1B1

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