SCHEMBL9155169

SCHEMBL9155169

COC(=O)CCCc1cc(=O)[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.51
MEN1 O00255 7/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
EGFR P00533 1/20 0.51
SRC P12931 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL9157731 0.96 KMT2A (0.50) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL29063256 0.92 EGFR (0.56) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL9155520 0.83 EGFR (0.55) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL9766046 0.83 L3MBTL1 (0.56) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL9160532 0.80 KMT2A (0.52) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL1358575 0.80 CYP1A2 (0.76) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL9158331 0.79 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL1253013 0.77 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL9156334 0.77 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL29443924 0.77 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5457099-A Carbostyril derivatives and antiallergic agent SAWAI PHARMACEUTICAL CO., LTD. (JP) 1995-10-10 US disclosed
EP-0577325-A1 Carbostyril derivatives and antiallergic agent SAWAI PHARMACEUTICAL CO., LTD. (JP) 1994-01-05 EP disclosed