SCHEMBL22165490

SCHEMBL22165490

COc1ccc(N(C)C(=O)Oc2cnc(SC)nc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
MAPT P10636 2/20 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
SCHEMBL22178978 0.76 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ATUBB4ATUBB
SCHEMBL29542273 0.76 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ATUBB4ATUBB
SCHEMBL11266182 0.73 MEN1 (0.47) SMN1; SMN2MEN1KMT2AMAPTPOLB
SCHEMBL22165488 0.73 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL167812 0.71 MAPT (0.56) SMN1; SMN2MEN1KMT2AMAPTPOLB
SCHEMBL12322230 0.69 ALDH1A1 (0.55) LIPESMN1; SMN2KMT2ATUBB4ATUBB
SCHEMBL29172704 0.68 MEN1 (0.42) SMN1; SMN2MEN1KMT2AMAPTPOLB
SCHEMBL5211841 0.68 MEN1 (0.47) MEN1KMT2AMAPTPOLBTP53
SCHEMBL22179002 0.67 MEN1 (0.41) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL4295525 0.67 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2ATUBB4ATUBB

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-3902804-A1 AZA-HETEROBICYCLIC INHIBITORS OF MAT2A AND METHODS OF USE FOR TREATING CANCER Les Laboratoires Servier SAS (FR) 2021-11-03 EP disclosed
WO-2020139992-A1 AZA-HETEROBICYCLIC INHIBITORS OF MAT2A AND METHODS OF USE FOR TREATING CANCER AGIOS PHARMACEUTICALS, INC. (US) 2020-07-02 WO disclosed