SCHEMBL10039656

SCHEMBL10039656

Cc1ccc([C@@H](C)NC(=O)c2cc3ccccc3[nH]2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.58
PIK3CA P42336 3/20 0.58
DRD2 P14416 2/20 0.57
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
RCE1 Q9Y256 1/20 0.54
GAA P10253 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
LMNA P02545 3/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 1/20 0.51
CCKAR P32238 1/20 0.51

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 0.91 MEN1 (0.64) EGFRPIK3CADRD2TAS1R3TAS1R1
SCHEMBL6883379 0.91 MEN1 (0.64) EGFRPIK3CADRD2TAS1R3TAS1R1
SCHEMBL17149629 0.91 MEN1 (0.64) EGFRPIK3CADRD2TAS1R3TAS1R1
SCHEMBL17149616 0.88 ALOX15 (0.59) EGFRPIK3CADRD2TAS1R3TAS1R1
SCHEMBL10039654 0.88 EGFR (0.57) EGFRPIK3CADRD2TAS1R3TAS1R1
SCHEMBL10039688 0.88 EGFR (0.57) EGFRPIK3CADRD2TAS1R3TAS1R1
SCHEMBL10039793 0.88 EGFR (0.57) EGFRPIK3CADRD2TAS1R3TAS1R1
SCHEMBL6918437 0.86 EGFR (0.58) EGFRPIK3CADRD2TAS1R3TAS1R1
SCHEMBL17149618 0.86 MEN1 (0.56) EGFRPIK3CADRD2TAS1R3TAS1R1
SCHEMBL17149620 0.86 TP53 (0.64) DRD2MEN1KMT2ARCE1KDM4E

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-2012084971-A1 INDOLE DERIVATIVES AS AGENTS AGAINST GRAM-NEGATIVE AND GRAM-POSITIVE BACTERIA CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-06-28 WO disclosed