SCHEMBL4780810

SCHEMBL4780810

COc1cc2cc(-c3c(Cl)cc[nH]c3=O)[nH]c2cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.36
▸ GLA P06280 4/20 0.36
▸ GAA P10253 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ CACNG8 Q8WXS5 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ AR P10275 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ BCAT2 O15382 1/20 0.31
▸ BCAT1 P54687 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 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
SCHEMBL4780474 0.78 EGFR (0.43) MEN1KMT2AP2RX7CYP2C9
SCHEMBL4780649 0.77 AURKA (0.42) KDM4EGAAALDH1A1MAPTLMNA
SCHEMBL3195817 0.71 TLR8 (0.50) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL21676217 0.68 GRIN2D (0.66) KDM4EGLAGAAALDH1A1PIM1
SCHEMBL22198956 0.67 GRIN2D (0.46) KDM4EGLAGAAALDH1A1PIM1
SCHEMBL19957217 0.67 HSD17B10 (0.51) KDM4EALDH1A1MAPTARMEN1
SCHEMBL19431846 0.65 TLR8 (0.47) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL22185666 0.65 GRIN2D (0.44) KDM4EGLAGAAALDH1A1MAPT
SCHEMBL22185226 0.64 GRIN2D (0.42) KDM4EGAAALDH1A1MAPTLMNA
SCHEMBL6116673 0.63 TNKS (0.46) KDM4EALDH1A1MAPTGRIA1CACNG8

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
WO-2008025526-A1 INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-06 — — WO disclosed
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