SCHEMBL23399004

SCHEMBL23399004

CCn1nc(-c2ccccc2)c(-c2ccccc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.49
CRHBP P24387 2/20 0.49
MAPK1 P28482 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
KMT2A Q03164 2/20 0.49
CRHR2 Q13324 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
TNNI3 P19429 1/20 0.49
TNNT2 P45379 1/20 0.49
TNNC1 P63316 1/20 0.49
ATM Q13315 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
TLR9 Q9NR96 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.45

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
SCHEMBL23398659 0.92 SMN1; SMN2 (0.48) SMN1; SMN2MEN1CRHBPMAPK1CASP1
SCHEMBL23402116 0.92 SMN1; SMN2 (0.48) SMN1; SMN2MEN1CRHBPMAPK1CASP1
SCHEMBL23402700 0.87 MEN1 (0.51) SMN1; SMN2MEN1CRHBPMAPK1CASP1
SCHEMBL23403664 0.87 SMN1; SMN2 (0.43) SMN1; SMN2MEN1CRHBPMAPK1CASP1
SCHEMBL23401160 0.85 RAB9A (0.40) SMN1; SMN2MEN1KMT2APTGS1PTGS2
SCHEMBL23403273 0.85 SMN1; SMN2 (0.41) SMN1; SMN2MEN1CRHBPMAPK1CASP1
SCHEMBL23399446 0.84 MEN1 (0.53) SMN1; SMN2MEN1CRHBPMAPK1CASP1
SCHEMBL23401645 0.83 GAA (0.50) SMN1; SMN2MEN1KMT2AKDM4EPDE4A
SCHEMBL23400338 0.83 MEN1 (0.49) SMN1; SMN2MEN1CRHBPMAPK1CASP1
SCHEMBL23403147 0.81 MEN1 (0.48) SMN1; SMN2MEN1CRHBPMAPK1CASP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed