SCHEMBL8832269

SCHEMBL8832269

Cn1c2ccc(CNC(C)(CO)CO)cc2c2nc3ccccc3nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.53
▸ MEN1 O00255 8/20 0.53
▸ NR1I2 O75469 1/20 0.53
▸ AHR P35869 1/20 0.53
▸ MAPT P10636 12/20 0.52
▸ HCRTR1 O43613 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ CASP1 P29466 2/20 0.52
▸ CASP7 P55210 2/20 0.52
▸ L3MBTL1 Q9Y468 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL8832131 0.99 KMT2A (0.52) KMT2AMEN1NR1I2AHRMAPT
SCHEMBL8832608 0.91 KMT2A (0.45) KMT2AMEN1NR1I2AHRMAPT
SCHEMBL8832221 0.90 L3MBTL1 (0.48) KMT2AMEN1NR1I2AHRMAPT
Hydrochloric Acid SCHEMBL8832015 0.90 KMT2A (0.44) KMT2AMEN1NR1I2AHRMAPT
SCHEMBL8832042 0.90 L3MBTL1 (0.48) KMT2AMEN1NR1I2AHRMAPT
Hydrochloric Acid SCHEMBL8832062 0.89 L3MBTL1 (0.47) KMT2AMEN1NR1I2AHRMAPT
Hydrochloric Acid SCHEMBL8832230 0.89 L3MBTL1 (0.47) KMT2AMEN1NR1I2AHRMAPT
SCHEMBL9539120 0.78 SLC2A1 (0.39) KMT2AMEN1MAPTKDM4ECASP1
SCHEMBL8832632 0.78 L3MBTL1 (0.45) KMT2AMEN1NR1I2AHRMAPT
SCHEMBL8832552 0.77 KMT2A (0.40) KMT2AMEN1NR1I2AHRMAPT

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-5597921-A ANTITUMOR AGENTS, TREATMENT OF LEUKEMIA TAISHO PHARMACEUTICAL CO., LTD. (JP) 1997-01-28 — — US disclosed
EP-0695754-A1 INDOLO 2,3-b]QUINOXALINE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1996-02-07 — — EP disclosed
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