SCHEMBL9568773

SCHEMBL9568773

O=C(O)Cn1nnnc1-c1ccc2ccsc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
SIGMAR1 Q99720 1/20 0.39
HSD11B1 P28845 5/20 0.37
KDM4C Q9H3R0 1/20 0.37
FFAR1 O14842 1/20 0.35
PPARD Q03181 1/20 0.35
POLB P06746 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL9568919 0.83 ALDH1A1 (0.39) ALDH1A1HPGDSIGMAR1HSD11B1POLB
SCHEMBL8947331 0.79 ALDH1A1 (0.84) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL9469451 0.79 ALDH1A1 (0.62) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL9689984 0.78 ALDH1A1 (0.54) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL8947333 0.76 ALDH1A1 (0.65) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL9688521 0.76 SIGMAR1 (0.38) ALDH1A1HPGDSIGMAR1POLB
SCHEMBL9690598 0.75 ALDH1A1 (0.53) ALDH1A1HPGDHSD11B1KDM4CHDAC6
SCHEMBL9568778 0.74 SIGMAR1 (0.38) SIGMAR1FFAR1PPARDMRGPRX4
SCHEMBL8947261 0.74 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1KDM4CPOLB
SCHEMBL5966727 0.74 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1KDM4CPOLB

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 2 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
EP-0528277-A1 Tetrazoleacetic acid derivatives aldose reductase inhibitors Wakamoto Pharmaceutical Co., Ltd. (JP) 1993-02-24 EP disclosed