SCHEMBL9681878

SCHEMBL9681878

CCc1cc(NCc2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1CO

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9846168 0.90 KMT2A (0.33) KMT2AMEN1KDM4ELMNAPOLB
SCHEMBL6367001 0.87 KMT2A (0.35) KMT2AMEN1KDM4ELMNAPOLB
SCHEMBL29456981 0.87 KMT2A (0.35) KMT2AMEN1KDM4ELMNAPOLB
SCHEMBL9455992 0.84 HCAR2 (0.33) KMT2AMEN1HCAR2ALDH1A1HPGD
SCHEMBL9682726 0.78 RAB9A (0.39) KMT2AMEN1KDM4ELMNAHCAR2
SCHEMBL9681377 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9846309 0.77 FABP4 (0.31) KMT2AMEN1HCAR2ALDH1A1HPGD
SCHEMBL9846072 0.74 TYMS (0.32) KMT2AMEN1ALDH1A1HPGD
SCHEMBL9681873 0.74 HCAR2 (0.34) KMT2AMEN1KDM4ELMNAPOLB
L-697661 SCHEMBL599639 0.72 FABP4 (0.34) KMT2AMEN1KDM4EMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169769-A Aerobic culture product MERCK & CO., INC. (US) 1992-12-08 US disclosed
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed