SCHEMBL10772434

SCHEMBL10772434

CCC(=O)c1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.63
▸ PDPK1 O15530 1/20 0.59
▸ KDM4E B2RXH2 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ HCRTR1 O43613 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HTR7 P34969 1/20 0.55
▸ HTR2B P41595 1/20 0.55
▸ IMPDH2 P12268 5/20 0.51
▸ GABRP O00591 1/20 0.49
▸ GABRD O14764 1/20 0.49
▸ GABRA1 P14867 1/20 0.49
▸ GABRB1 P18505 1/20 0.49
▸ GABRG2 P18507 1/20 0.49
▸ GABRB3 P28472 1/20 0.49
▸ GABRA5 P31644 1/20 0.49

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
SCHEMBL1928074 0.84 PDPK1 (0.59) KIF11PDPK1KDM4EALDH1A1MEN1
SCHEMBL10774096 0.82 PTGS2 (0.54) KIF11PDPK1KDM4EALDH1A1MEN1
SCHEMBL658500 0.81 KIF11 (0.69) KIF11PDPK1KDM4EALDH1A1MEN1
SCHEMBL31512491 0.81 KIF11 (0.69) KIF11PDPK1KDM4EALDH1A1MEN1
SCHEMBL6009670 0.80 KDM4E (0.84) KIF11KDM4EALDH1A1MEN1HCRTR1
SCHEMBL147263 0.80 PARP1 (0.73) KIF11PDPK1KDM4EALDH1A1KMT2A
SCHEMBL29377098 0.80 PARP1 (0.73) KIF11PDPK1KDM4EALDH1A1KMT2A
SCHEMBL1181911 0.78 HTR7 (0.68) KIF11PDPK1KDM4EALDH1A1HTR7
SCHEMBL28435277 0.78 KIF11 (0.64) KIF11PDPK1KDM4EALDH1A1MEN1
SCHEMBL30202297 0.78 HTR7 (0.68) KIF11PDPK1KDM4EALDH1A1HTR7

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
EP-0247222-A1 Carbazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-12-02 — — EP disclosed
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