SCHEMBL19635568

SCHEMBL19635568

CCc1cc(C(=O)N=O)nn1C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.34
MPO P05164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3576265 0.80 HCAR2 (0.42) BAZ2B
SCHEMBL6079670 0.80 BAZ2B (0.37) BAZ2BMPOSMN1; SMN2L3MBTL1
SCHEMBL1233408 0.79 PLA2G10 (0.45) BAZ2BMPOSMN1; SMN2L3MBTL1
SCHEMBL9197577 0.76 MMP2 (0.43) BAZ2BMPOSMN1; SMN2
SCHEMBL1233249 0.75 MPO (0.49) MPOSMN1; SMN2
SCHEMBL22436747 0.75 THRB (0.37) BAZ2BMPO
SCHEMBL19635566 0.72 MPO (0.40) BAZ2BMPOSMN1; SMN2
SCHEMBL6078731 0.71 CLK1 (0.31) BAZ2BMPO
SCHEMBL13466375 0.71 KDM4C (0.48) SMN1; SMN2L3MBTL1
SCHEMBL17324767 0.70 BAZ2B (0.35) BAZ2BMPOSMN1; SMN2

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-3710449-B1 MACROCYCLIC FLUORINE SUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS, FOR USE IN THE TREATMENT OF CANCER BROAD INST INC (US) 2022-07-06 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed