SCHEMBL31069561

SCHEMBL31069561

Cc1ccc2cc3c(cc2c1)CN(C(C)(C)C)C3=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
ACHE P22303 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CG P48736 2/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL31069539 0.84 CYP3A4 (0.36) CYP1A2CYP17A1CYP3A4HSD17B10ALDH1A1
SCHEMBL435024 0.83 ACHE (0.45) HSD17B10HTR2AHTR2CHTR2BACHE
SCHEMBL17191862 0.71 ACHE (0.32) ACHEPIK3CG
SCHEMBL1500134 0.69 SDCBP (0.42) MEN1KMT2A
SCHEMBL22151644 0.69 SRD5A1 (0.39) HTR2AHTR2BACHEMEN1KMT2A
SCHEMBL21101461 0.69 ALDH1A1 (0.42) CYP1A2HSD17B10TDP1HTR2AHTR2C
SCHEMBL21117718 0.69 ALDH1A1 (0.42) HTR2AHTR2CHTR2BALDH1A1CA12
SCHEMBL22151641 0.69 HTR2C (0.43) HTR2AHTR2CHTR2BHPGD
SCHEMBL31409475 0.69 CRBN (0.44) CYP1A2CYP3A4HSD17B10ALDH1A1MEN1
SCHEMBL18793920 0.69 MEN1 (0.41) TDP1MEN1KMT2A

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-118580225-A PRMT5-MTA synergistic inhibitor and application thereof 甘李药业股份有限公司 2024-09-03 CN disclosed