SCHEMBL541192

SCHEMBL541192

CCOc1cc(-n2c(C)nc3ccccc32)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ TP53 P04637 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ RECQL P46063 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL541415 0.89 TDP1 (0.46) MAPK1HTTTP53SMN1; SMN2ALOX15
SCHEMBL3732608 0.82 MAPK1 (0.59) MAPK1HTTKDM4ESMN1; SMN2HSD17B10
SCHEMBL541624 0.80 TP53 (0.40) TP53KDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL8396869 0.75 RECQL (0.60) MAPK1HTTKDM4ESMN1; SMN2HSD17B10
SCHEMBL7762886 0.74 HSD17B10 (0.72) MAPK1HTTKDM4ESMN1; SMN2HSD17B10
SCHEMBL3667518 0.73 HSD17B10 (0.72) MAPK1HTTKDM4ESMN1; SMN2HSD17B10
SCHEMBL9262862 0.73 ALOX15 (0.58) MAPK1HTTTP53SMN1; SMN2HSD17B10
SCHEMBL7257420 0.73 MAPT (0.60) TP53KDM4ELMNASMN1; SMN2GAA
SCHEMBL7254234 0.71 AGTR1 (0.62) HTTTP53LMNASMN1; SMN2MAPT
SCHEMBL7260911 0.70 TP53 (0.61) TP53SMN1; SMN2MAPTAGTR1AGTR2

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-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 — — EP claimed
Send feedback