SCHEMBL9575680

SCHEMBL9575680

CN(C)C(=O)Sc1ccccc1C(=O)c1ccccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.41
POLB P06746 3/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9493141 0.85 GAA (0.49) GAAALDH1A1MAPTHPGDNPC1
SCHEMBL9575692 0.81 MAPT (0.40) GAAALDH1A1MAPTHPGDNPC1
SCHEMBL9797638 0.81 MAPT (0.42) GAAALDH1A1MAPTHPGDNPC1
SCHEMBL9575685 0.78 GSK3B (0.42) ALDH1A1KMT2AHTTTSHRSMN1; SMN2
SCHEMBL2913776 0.78 ALDH1A1 (0.45) GAAALDH1A1MAPTPOLBLMNA
SCHEMBL9575469 0.77 AKR1C3 (0.47) GAAALDH1A1MAPTHPGDNPC1
SCHEMBL16387187 0.75 CA12 (0.50) GAAALDH1A1MAPTHPGDPOLB
SCHEMBL18113230 0.75 CA12 (0.65) ALDH1A1HPGDNPC1POLBTDP1
SCHEMBL30739492 0.73 KMT2A (0.50) GAAALDH1A1MAPTHPGDNPC1
SCHEMBL7636142 0.72 TSHR (0.55) ALDH1A1HPGDNPC1POLBKMT2A

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
EP-0367671-B1 NOVEL BETA-D-PHENYLTHIOXYLOSIDES, THEIR METHOD OF PREPARATION AND THEIR USE AS PHARMACEUTICALS FOURNIER INDUSTRIE ET SANTE (FR) 1993-07-28 EP disclosed
US-4960758-A Antithrombotics FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-02 US disclosed
EP-0367671-A2 Novel beta-D-phenylthioxylosides, their method of preparation and their use as pharmaceuticals FOURNIER INDUSTRIE ET SANTE (FR) 1990-05-09 EP disclosed