SCHEMBL9575692

SCHEMBL9575692

CN(C)C(=O)Sc1ccccc1C(=O)c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
NSD2 O96028 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL9575685 0.86 GSK3B (0.42) KMT2AALDH1A1SMN1; SMN2GSK3B
SCHEMBL9575519 0.84 KMT2A (0.46) MAPTHPGDCYP11B1CYP11B2KMT2A
SCHEMBL9575469 0.84 AKR1C3 (0.47) MAPTHPGDKMT2AALDH1A1NPC1
SCHEMBL9575680 0.81 GAA (0.46) MAPTHPGDKMT2AALDH1A1NPC1
SCHEMBL9575538 0.79 RXFP1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9797395 0.79 CA1 (0.43) MAPTHPGDKMT2AALDH1A1CA1
SCHEMBL9797638 0.76 MAPT (0.42) MAPTHPGDKMT2AALDH1A1NPC1
SCHEMBL14454220 0.73 MAPK13 (0.49) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL9493141 0.73 GAA (0.49) MAPTHPGDKMT2AALDH1A1NPC1
SCHEMBL31186049 0.73 MAPK13 (0.49) CYP11B1CYP11B2ALDH1A1NPC1RAB9A

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
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