SCHEMBL9846089

SCHEMBL9846089

CCc1cc(NCc2cc3c(nc2OC)CCCC3)c(=O)[nH]c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
KDM4E B2RXH2 5/20 0.33
MAPT P10636 7/20 0.32
ALDH1A1 P00352 4/20 0.32
GAA P10253 2/20 0.32
HIF1A Q16665 1/20 0.32
P2RX7 Q99572 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
DCTPP1 Q9H773 1/20 0.31
PPARG P37231 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
POLB P06746 1/20 0.30
APAF1 O14727 1/20 0.30
RECQL P46063 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL9846123 0.91 NPSR1 (0.36) NPSR1RXFP1KDM4EMAPTALDH1A1
SCHEMBL9680321 0.87 NPSR1 (0.36) NPSR1RXFP1KDM4EMAPTALDH1A1
SCHEMBL9846183 0.85 RXFP1 (0.38) NPSR1RXFP1KDM4EMAPTALDH1A1
SCHEMBL9681437 0.85 NPSR1 (0.34) NPSR1RXFP1KDM4EMAPTGAA
SCHEMBL9333881 0.81 MAPT (0.35) KDM4EMAPTALDH1A1GAAHIF1A
SCHEMBL9281981 0.80 MAPT (0.37) KDM4EMAPTALDH1A1GAAHIF1A
SCHEMBL9846212 0.79 SLC2A1 (0.40) KDM4EMAPTALDH1A1GAAP2RX7
SCHEMBL9846230 0.77 BTK (0.41) KDM4EMAPTALDH1A1GAAHIF1A
SCHEMBL9246249 0.76 MAPT (0.32) KDM4EMAPTGAAAPAF1RECQL
SCHEMBL9246243 0.75 PDE1A (0.32) KDM4EMAPTGAAAPAF1RECQL

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-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed