SCHEMBL23398659

SCHEMBL23398659

CCn1nc(-c2ccccc2)c(-c2ccc(C)cc2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
TNNI3 P19429 1/20 0.43
CRHBP P24387 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
TNNT2 P45379 1/20 0.43
CASP7 P55210 1/20 0.43
TNNC1 P63316 1/20 0.43
ATM Q13315 1/20 0.43
CRHR2 Q13324 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TLR9 Q9NR96 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL23402116 1.00 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ATDP1MEN1KMT2A
SCHEMBL23401160 0.94 RAB9A (0.40) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL23399004 0.92 SMN1; SMN2 (0.53) SMN1; SMN2TDP1MEN1KMT2AKDM4E
SCHEMBL23400518 0.89 ESR1 (0.49) SMN1; SMN2RAB9ATDP1MEN1KMT2A
SCHEMBL23401922 0.89 ESR1 (0.49) SMN1; SMN2RAB9ATDP1MEN1KMT2A
SCHEMBL23399866 0.87 MEN1 (0.40) SMN1; SMN2RAB9AMEN1KMT2AKDM4E
SCHEMBL23400949 0.86 MEN1 (0.48) RAB9AMEN1KMT2ACRHBPCRHR2
SCHEMBL23403094 0.86 MEN1 (0.48) RAB9AMEN1KMT2ACRHBPCRHR2
SCHEMBL23403664 0.86 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ATDP1MEN1KMT2A
SCHEMBL23399567 0.85 RAB9A (0.43) SMN1; SMN2RAB9ATDP1MEN1KMT2A

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