SCHEMBL9974833

SCHEMBL9974833

CC(=O)OCc1c(C(=O)O)c2ccccc2n1CCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
AGTR1 P30556 6/20 0.42
EGFR P00533 1/20 0.40
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL9974834 0.87 KDM4E (0.47) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL20053346 0.81 MAPT (0.41) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL9974832 0.75 KDM4E (0.49) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL9974823 0.72 MAPT (0.53) MAPTALDH1A1KDM4EHPGDHTR3A
SCHEMBL29574988 0.70 ALDH1A1 (0.61) POLBMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL25733860 0.70 ALDH1A1 (0.61) POLBMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL28370067 0.69 THRA (0.57) POLBMAPTALDH1A1EGFRPTGS2
SCHEMBL7437043 0.69 HTR3E (0.61) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL9974831 0.69 KDM4E (0.51) POLBMAPTALDH1A1KDM4EHPGD
SCHEMBL2834167 0.68 ALDH1A1 (0.63) POLBMAPTALDH1A1KDM4EHPGD

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-2012080447-A1 INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2012-06-21 WO disclosed