SCHEMBL29909218

SCHEMBL29909218

CN(c1cccc(-c2ccc(C(C)(C)C)cc2)c1)c1nc2nncn2c2cc(CO)ccc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.35
OPRD1 P41143 3/20 0.33
CYP19A1 P11511 1/20 0.32
CSF1R P07333 1/20 0.32
SERPINE1 P05121 2/20 0.32
FYN P06241 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
IKBKB O14920 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FGFR1 P11362 1/20 0.31
NR1I2 O75469 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
SCHEMBL23576866 1.00 MGLL (0.35) MGLLOPRD1CYP19A1CSF1RSERPINE1
SCHEMBL23576658 0.90 MGLL (0.36) MGLLCSF1RFYNTP53SMN1; SMN2
SCHEMBL29909291 0.90 MGLL (0.36) MGLLCSF1RFYNTP53SMN1; SMN2
SCHEMBL23601577 0.89 TP53 (0.39) MGLLFYNFNTAFNTBTP53
SCHEMBL29909716 0.88 TP53 (0.41) MGLLTP53
SCHEMBL23577277 0.88 TP53 (0.41) MGLLTP53
SCHEMBL29909922 0.86 FNTA (0.41) OPRD1FNTAFNTBTP53
SCHEMBL23576713 0.86 OPRD1 (0.34) OPRD1FNTAFNTBTP53SMN1; SMN2
SCHEMBL23577059 0.86 FNTA (0.41) OPRD1FNTAFNTBTP53
SCHEMBL29909719 0.86 OPRD1 (0.34) OPRD1FNTAFNTBTP53SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed