SCHEMBL6883379

SCHEMBL6883379

C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
RCE1 Q9Y256 1/20 0.64
DRD2 P14416 1/20 0.61
EGFR P00533 4/20 0.60
PIK3CA P42336 4/20 0.60
LMNA P02545 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
KDM4E B2RXH2 3/20 0.57
GAA P10253 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
CCKAR P32238 1/20 0.57
PYGL P06737 1/20 0.56
MAPT P10636 1/20 0.55
DAO P14920 1/20 0.55

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
SCHEMBL19476075 1.00 MEN1 (0.64) MEN1KMT2ARCE1DRD2EGFR
SCHEMBL17149629 1.00 MEN1 (0.64) MEN1KMT2ARCE1DRD2EGFR
SCHEMBL10039654 0.92 EGFR (0.57) MEN1KMT2ARCE1DRD2EGFR
SCHEMBL10039656 0.91 EGFR (0.58) MEN1KMT2ARCE1DRD2EGFR
SCHEMBL17149616 0.89 ALOX15 (0.59) MEN1KMT2ARCE1DRD2EGFR
SCHEMBL10039793 0.89 EGFR (0.57) MEN1KMT2ARCE1DRD2EGFR
SCHEMBL10039688 0.89 EGFR (0.57) MEN1KMT2ARCE1DRD2EGFR
SCHEMBL6918437 0.87 EGFR (0.58) MEN1KMT2ARCE1DRD2EGFR
SCHEMBL17149787 0.87 ALOX15 (0.56) MEN1KMT2ARCE1DRD2EGFR
SCHEMBL10039600 0.87 EGFR (0.56) MEN1KMT2ARCE1DRD2EGFR

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-1460064-A1 Indole-2-carboxamide derivatives useful as beta-2 agonists Pfizer Limited (GB) 2004-09-22 EP disclosed