SCHEMBL8832042

SCHEMBL8832042

Cn1c2ccccc2c2nc3ccc(CNC(C)(CO)CO)cc3nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KMT2A Q03164 7/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ NR1I2 O75469 1/20 0.43
▸ AHR P35869 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ MAPT P10636 7/20 0.43
▸ CASP1 P29466 5/20 0.43
▸ CASP7 P55210 5/20 0.43
▸ HCRTR1 O43613 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 4/20 0.41
▸ HTT P42858 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TSHR P16473 4/20 0.41
▸ USP2 O75604 3/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ POLB P06746 2/20 0.41

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
SCHEMBL8832221 1.00 L3MBTL1 (0.48) L3MBTL1LMNAKMT2AMEN1NR1I2
Hydrochloric Acid SCHEMBL8832230 0.99 L3MBTL1 (0.47) L3MBTL1LMNAKMT2AMEN1NR1I2
Hydrochloric Acid SCHEMBL8832062 0.99 L3MBTL1 (0.47) L3MBTL1LMNAKMT2AMEN1NR1I2
SCHEMBL8832608 0.90 KMT2A (0.45) L3MBTL1LMNAKMT2AMEN1NR1I2
SCHEMBL8832269 0.90 KMT2A (0.53) L3MBTL1LMNAKMT2AMEN1NR1I2
Hydrochloric Acid SCHEMBL8832131 0.89 KMT2A (0.52) L3MBTL1LMNAKMT2AMEN1NR1I2
Hydrochloric Acid SCHEMBL8832015 0.89 KMT2A (0.44) L3MBTL1LMNAKMT2AMEN1NR1I2
SCHEMBL8832632 0.81 L3MBTL1 (0.45) L3MBTL1LMNAKMT2AMEN1NR1I2
Hydrochloric Acid SCHEMBL8832286 0.81 L3MBTL1 (0.44) L3MBTL1LMNAKMT2AMEN1NR1I2
SCHEMBL8832213 0.80 L3MBTL1 (0.43) L3MBTL1LMNAKMT2AMEN1NR1I2

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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