SCHEMBL28928985

SCHEMBL28928985

COc1ccc(-c2cc3c4c(cccc4c2)C=CC3=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
ABL1 P00519 1/20 0.42
ABCB1 P08183 1/20 0.42
BCR P11274 1/20 0.42
GRM2 Q14416 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 2/20 0.41
PKM P14618 1/20 0.41
MCL1 Q07820 1/20 0.41
GSTP1 P09211 1/20 0.41
ALKBH3 Q96Q83 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PTPN1 P18031 1/20 0.40
HDAC4 P56524 1/20 0.40

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
SCHEMBL30165991 1.00 NTRK1 (0.42) NTRK1NTRK2ABL1ABCB1BCR
SCHEMBL30166004 0.89 PTPN1 (0.43) NTRK1NTRK2ABL1ABCB1BCR
SCHEMBL28929020 0.89 PTPN1 (0.43) NTRK1NTRK2ABL1ABCB1BCR
SCHEMBL30165990 0.85 CYP1A1 (0.50) KMT2AMEN1KDM4EMAPTTDP1
SCHEMBL28929473 0.85 CYP1A1 (0.50) KMT2AMEN1KDM4EMAPTTDP1
SCHEMBL28929455 0.84 L3MBTL1 (0.43) KMT2AMEN1KDM4EMAPTMAPK1
SCHEMBL30165993 0.84 L3MBTL1 (0.43) KMT2AMEN1KDM4EMAPTMAPK1
SCHEMBL28929233 0.83 CES1 (0.42) KMT2AMEN1KDM4EMAPTMAPK1
SCHEMBL30166002 0.83 NPC1 (0.46) KMT2AMEN1MAPTNPC1ADORA3
SCHEMBL28928989 0.83 NPC1 (0.46) KMT2AMEN1MAPTNPC1ADORA3

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
CN-115583876-B Phenyl naphthacene ketone compound and preparation method and application thereof 深圳技术大学 2023-12-19 CN disclosed
CN-115583876-A Phenyl-naphthalenepophenone compounds, preparation method and application thereof 深圳技术大学 2023-01-10 CN disclosed