SCHEMBL30965484

SCHEMBL30965484

CCc1ccc(Oc2ccc(NC(=O)NC)cc2Cn2cccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
GAA P10253 2/20 0.50
USP2 O75604 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
THRB P10828 1/20 0.40
LMNA P02545 3/20 0.40
KDR P35968 3/20 0.39
MAPK14 Q16539 1/20 0.39
TNNI3K Q59H18 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 3/20 0.38
TP53 P04637 2/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL24065470 1.00 MAPT (0.50) MAPTGAAUSP2HTTMEN1
SCHEMBL24065475 0.83 MAPT (0.52) MAPTGAAUSP2HTTMEN1
SCHEMBL30965478 0.83 MAPT (0.52) MAPTGAAUSP2HTTMEN1
SCHEMBL30965498 0.78 MAPT (0.41) MAPTGAAUSP2HTTMEN1
SCHEMBL24065488 0.78 MAPT (0.41) MAPTGAAUSP2HTTMEN1
SCHEMBL24065469 0.76 CYP19A1 (0.44) MAPTHTTMEN1KMT2ATSHR
SCHEMBL30965477 0.76 CYP19A1 (0.44) MAPTHTTMEN1KMT2ATSHR
SCHEMBL24065506 0.75 KMT2A (0.46) MAPTGAAUSP2HTTMEN1
SCHEMBL23292657 0.70 NTRK1 (0.47) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL30062086 0.70 NTRK1 (0.47) MAPTHTTMEN1KMT2ASMN1; 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
CN-112513032-B 4-Substituted phenyl-1, 3, 5-triazine derivatives as modulators of TRK receptors 阿泽克制药公司 2024-07-02 CN disclosed