SCHEMBL29956524

SCHEMBL29956524

Cc1cc(C=O)nc(O)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.35
GRM4 Q14833 1/20 0.33
CCR1 P32246 1/20 0.32
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
TERT O14746 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
POLB P06746 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
HTR2B P41595 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
SCHEMBL13724354 0.78 GRM4 (0.53) GRM4SMN1; SMN2POLB
SCHEMBL27261834 0.78 CCR1 (0.37) ERN1CCR1HTTLMNATERT
SCHEMBL29952455 0.77 ALDH1A1 (0.36) GRM4CCR1LMNAALDH1A1KDM4E
SCHEMBL3089372 0.77 ALDH1A1 (0.36) GRM4CCR1LMNAALDH1A1KDM4E
SCHEMBL7472288 0.77 HTR2B (0.35) CCR1HTR2B
SCHEMBL13926087 0.77 NOS2 (0.46) GRM4LMNA
SCHEMBL891790 0.75
SCHEMBL11026593 0.75 GAA (0.42) GRM4HTTMAPK1SMN1; SMN2KDM4E
SCHEMBL11026594 0.75 GAA (0.42) GRM4HTTMAPK1SMN1; SMN2KDM4E
SCHEMBL21338123 0.74 CCR1 (0.32) GRM4CCR1LMNAPOLBAPOBEC3G

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed