SCHEMBL28964758

SCHEMBL28964758

COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1NC(=O)Cn1cnc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
HSD17B10 Q99714 2/20 0.45
RAB9A P51151 2/20 0.43
USP2 O75604 1/20 0.42
ALDH1A1 P00352 7/20 0.41
NPSR1 Q6W5P4 4/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.40
HPGD P15428 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
CREBBP Q92793 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL28952139 0.90 MAPT (0.46) MAPTHSD17B10RAB9AUSP2ALDH1A1
SCHEMBL28964765 0.86 KDM4E (0.46) MAPTHSD17B10RAB9AUSP2ALDH1A1
SCHEMBL28951961 0.85 MAPT (0.47) MAPTHSD17B10RAB9AUSP2ALDH1A1
SCHEMBL28951962 0.83 MAPT (0.53) MAPTHSD17B10RAB9AUSP2ALDH1A1
SCHEMBL28964725 0.83 ALDH1A1 (0.47) MAPTHSD17B10RAB9AUSP2ALDH1A1
SCHEMBL20428309 0.82 ALDH1A1 (0.47) MAPTHSD17B10RAB9AALDH1A1NPSR1
SCHEMBL20428330 0.82 ALDH1A1 (0.48) MAPTRAB9AALDH1A1NPSR1KDM4E
SCHEMBL28952542 0.82 ALDH1A1 (0.48) MAPTRAB9AALDH1A1NPSR1KDM4E
SCHEMBL28952234 0.82 ALDH1A1 (0.54) MAPTHSD17B10RAB9AUSP2ALDH1A1
SCHEMBL28952266 0.81 ALDH1A1 (0.47) MAPTHSD17B10RAB9AUSP2ALDH1A1

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-115703755-B 2H-benzopyran-2-one derivatives and uses thereof 成都赜灵生物医药科技有限公司 2024-07-02 CN disclosed
CN-115703755-A 2H-benzopyran-2-one derivatives and uses thereof 成都赜灵生物医药科技有限公司 2023-02-17 CN disclosed