SCHEMBL8832022

SCHEMBL8832022

Cn1c2nc3ccccc3nc2c2cccc(CO)c21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.66
▸ MEN1 O00255 6/20 0.66
▸ HCRTR1 O43613 4/20 0.66
▸ NPC1 O15118 4/20 0.66
▸ RAB9A P51151 3/20 0.66
▸ CASP1 P29466 5/20 0.46
▸ CASP7 P55210 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ TSHR P16473 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ USP2 O75604 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ AHR P35869 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.44

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
SCHEMBL8832000 0.82 KMT2A (0.52) KMT2AMEN1HCRTR1NPC1RAB9A
Hydrochloric Acid SCHEMBL8831958 0.81 KMT2A (0.51) KMT2AMEN1HCRTR1NPC1RAB9A
SCHEMBL8832299 0.78 L3MBTL1 (0.54) KMT2AMEN1HCRTR1NPC1RAB9A
SCHEMBL8832023 0.77 L3MBTL1 (0.52) KMT2AMEN1HCRTR1NPC1RAB9A
SCHEMBL8832276 0.75 KMT2A (0.64) KMT2AMEN1HCRTR1NPC1RAB9A
SCHEMBL8831926 0.73 KMT2A (0.58) KMT2AMEN1HCRTR1NPC1RAB9A
SCHEMBL16621922 0.72 MEN1 (0.68) KMT2AMEN1HCRTR1NPC1RAB9A
SCHEMBL9934672 0.71 ALDH1A1 (0.55) KMT2ANPC1RAB9ACASP1CASP7
SCHEMBL24822445 0.70 ALKBH5 (0.59) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL5025943 0.70 PRMT5 (0.58) POLBKDM4E

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
Send feedback