SCHEMBL30009780

SCHEMBL30009780

Cc1cc2ccc3ccccc3c2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 9/20 0.49
HPGD P15428 6/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 5/20 0.44
TSHR P16473 4/20 0.44
CYP2A6 P11509 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 4/20 0.43
CYP1B1 Q16678 3/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 3/20 0.41
CYP1A1 P04798 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
PDE5A O76074 1/20 0.41

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
SCHEMBL25655884 1.00 KMT2A (0.51) KMT2AALDH1A1HPGDLMNAKDM4E
SCHEMBL15851174 0.82 ALDH1A1 (0.41) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL12279379 0.80 ALDH1A1 (0.40) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL18133619 0.80 ALDH1A1 (0.40) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL13435569 0.80 CYP1A1 (0.62) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL13561968 0.80 ALDH1A1 (0.41) KMT2AALDH1A1HPGDLMNAKDM4E
SCHEMBL4420514 0.79 ALDH1A1 (0.45) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL14231869 0.78 CYP1A1 (0.51) KMT2AALDH1A1HPGDLMNAKDM4E
SCHEMBL17083900 0.77 HPGD (0.59) KMT2AALDH1A1HPGDLMNAKDM4E
SCHEMBL11643109 0.74 MAOB (0.54) ALDH1A1HPGDKDM4EHSD17B10TSHR

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-111067889-B Application of 2-methyl naphtho [1,2-b ] furan compound in preparation of medicine related to diabetic nephropathy 徐州医科大学 2022-11-18 CN disclosed
CN-111067889-B Application of 2-methyl naphtho [1,2-b ] furan compound in preparation of medicine related to diabetic nephropathy 徐州医科大学 2022-11-18 CN disclosed