SCHEMBL29934873

SCHEMBL29934873

CC(C)Oc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 1.00
TP53 P04637 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
MAPT P10636 1/20 1.00
TSHR P16473 1/20 1.00
TDP1 Q9NUW8 1/20 1.00

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
SCHEMBL9002941 1.00 CCKBR (1.00) CCKBRTP53CYP1A2CYP3A4MAPT
SCHEMBL9203429 0.80 CCKBR (0.80) CCKBRTP53CYP1A2CYP3A4MAPT
SCHEMBL9209152 0.77 CCKBR (0.76) CCKBR
SCHEMBL16620509 0.72 HIF1A (0.60) CCKBRTP53CYP1A2CYP3A4MAPT
SCHEMBL8502010 0.71 SMN1; SMN2 (0.56) CCKBR
SCHEMBL8503645 0.71 SMN1; SMN2 (0.56) CCKBR
SCHEMBL6308294 0.68 CCKBR (0.63) CCKBR
SCHEMBL9209580 0.68 CCKBR (0.60) CCKBRTP53CYP1A2CYP3A4MAPT
SCHEMBL9203141 0.67 NPC1 (0.64) CCKBRMAPT
SCHEMBL31525981 0.66 MAPT (0.49) CCKBRTP53CYP1A2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250019769-A1 REPURPOSING DRUGS FOR NON-SMALL CELL LUNG CANCER West Virginia University Board of Governors on behalf of West Virginia University 2025-01-16 US disclosed
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 US disclosed