SCHEMBL29913613

SCHEMBL29913613

C1=Cc2c(ccc3ccccc23)C(c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP19A1 P11511 3/20 0.38
CYP2A6 P11509 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM1A O60341 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
MTNR1A P48039 1/20 0.33
IDO1 P14902 1/20 0.33
HPRT1 P00492 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL28310747 0.84 MYB (0.41) ALDH1A1KDM4ECYP2A6MTNR1AMAPT
SCHEMBL30828480 0.79 MYB (0.44) MAPT
SCHEMBL4960740 0.77 ALDH1A1 (0.37) LMNAALDH1A1KDM4ECYP2A6TSHR
SCHEMBL21283608 0.77 KDM1A (0.43) ALDH1A1KDM4ECYP2A6TSHRHSD17B10
SCHEMBL28246731 0.77 ALDH1A1 (0.37) LMNAALDH1A1KDM4ECYP2A6TSHR
SCHEMBL10783887 0.77 KDM4E (0.38) ALDH1A1KDM4ECYP2A6TSHRHSD17B10
SCHEMBL9302630 0.77 ALDH1A1 (0.37) LMNAALDH1A1KDM4ECYP2A6TSHR
SCHEMBL10457842 0.77 ALDH1A1 (0.37) LMNAALDH1A1KDM4ECYP2A6TSHR
SCHEMBL29560738 0.77 ALDH1A1 (0.37) LMNAALDH1A1KDM4ECYP2A6TSHR
SCHEMBL9682849 0.75 CYP1A2 (0.39) LMNAALDH1A1KDM4EHSD17B10TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874476-A Organic blue light main body material and preparation method and application thereof 青岛科技大学 2023-10-13 CN claimed
CN-116874476-A Organic blue light main body material and preparation method and application thereof 青岛科技大学 2023-10-13 CN disclosed
CN-113214253-B Pyridoimidazole derivative and preparation method and application thereof 广东工业大学 2022-07-12 CN disclosed