SCHEMBL28640889

SCHEMBL28640889

C1=C(c2ccccc2)Oc2ccc3ccccc3c2/C1=C/c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.60
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
KDM4E B2RXH2 4/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 9/20 0.34
HPGD P15428 4/20 0.34
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
GAA P10253 2/20 0.33
HTT P42858 4/20 0.33
CNR1 P21554 1/20 0.32
PKM P14618 3/20 0.32
ALOX12 P18054 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP19A1 P11511 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
SCHEMBL7599882 0.75 MAPT (1.00) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL16080104 0.75 MAPT (1.00) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL7599877 0.75 MAPT (1.00) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL28640894 0.75 ALOX5 (0.36) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL28621549 0.75 KMT2A (0.44) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL28629281 0.70 KDM4E (0.36) MAPTKDM4ETDP1ALDH1A1HPGD
SCHEMBL10577130 0.64 MAPT (0.77) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL10577132 0.64 MAPT (0.77) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL10577536 0.62 MAPT (0.74) MAPTKMT2AMEN1KDM4ETDP1
SCHEMBL10577532 0.62 MAPT (0.74) MAPTKMT2AMEN1KDM4ETDP1

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-108250174-B Naphthopyran compounds and preparation method thereof 中国科学院兰州化学物理研究所苏州研究院 2021-09-10 CN disclosed