SCHEMBL29068707

SCHEMBL29068707

C=C(c1ccccc1)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
PDPK1 O15530 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
APEX1 P27695 1/20 0.59
CYP2C19 P33261 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
FLT3 P36888 5/20 0.57
ATM Q13315 1/20 0.50
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
DAO P14920 1/20 0.44
MLLT1 Q03111 1/20 0.44
HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL30549460 1.00 KDM4E (0.59) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL10176182 0.81 FLT3 (0.54) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL5828060 0.78 MEN1 (0.71) KDM4ETSHRFLT3NPC1RAB9A
SCHEMBL10084615 0.77 KDM4E (0.62) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL13383377 0.76 KDM4E (0.60) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL21013557 0.76 KDM4E (0.60) KDM4EPDPK1ALDH1A1LMNAHPGD
5-Fluoroindole-2-Carboxylic Acid SCHEMBL209759 0.75 KDM4E (1.00) KDM4EPDPK1ALDH1A1LMNAHPGD
5-Fluoroindole-2-Carboxylic Acid SCHEMBL213473 0.73 KDM4E (0.96) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL31060211 0.73 FLT3 (1.00) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL17327557 0.72 EGFR (0.75) KDM4EPDPK1ALDH1A1LMNAHPGD

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-115368289-B Antitumor bisindolyl methane derivative compound and preparation method and application thereof 常州大学 2023-08-01 CN disclosed