SCHEMBL28906379

SCHEMBL28906379

Cc1ccc2[nH]c(-c3ccccc3)c(Cc3c(-c4ccccc4)[nH]c4ccc(C)cc34)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 3/20 0.60
GFER P55789 2/20 0.60
POLB P06746 2/20 0.55
MDM4 O15151 1/20 0.54
MDM2 Q00987 1/20 0.54
PTGS2 P35354 2/20 0.52
HSD17B10 Q99714 2/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TUBB4A P04350 4/20 0.51

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
SCHEMBL30745615 1.00 HPGD (0.63) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11657694 0.89 HPGD (0.62) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7491796 0.87 TUBB4A (0.61) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28960401 0.87 MDM4 (0.68) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4814649 0.86 PPARG (0.67) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6929315 0.85 KDM4E (0.69) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10936333 0.84 HPGD (0.56) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6922498 0.82 PPARG (0.66) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12939133 0.81 F2 (0.61) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28906369 0.81 MAPT (0.55) HPGDMDM4MDM2PTGS2MAPT

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-115304533-B Bisindolemethane type alpha-glucosidase inhibitor and preparation method and application thereof 中国医学科学院药用植物研究所云南分所 2024-04-12 CN disclosed
CN-117567447-A Thiophene-containing bis-indolomethane type a-glucosidase inhibitor and preparation method and application thereof 中国医学科学院药用植物研究所云南分所 2024-02-20 CN disclosed
CN-115304533-A Bis-indole methane type alpha-glucosidase inhibitor and preparation method and application thereof 中国医学科学院药用植物研究所云南分所 2022-11-08 CN disclosed