SCHEMBL9523677

SCHEMBL9523677

COc1ccc(CCC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
BCL9 O00512 1/20 0.58
CTNNB1 P35222 1/20 0.58
MEN1 O00255 5/20 0.57
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
KCNH2 Q12809 2/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL16056331 0.88 KMT2A (0.53) KMT2ABCL9CTNNB1MEN1MAPT
SCHEMBL5729901 0.86 BCL9 (0.65) KMT2ABCL9CTNNB1MEN1MAPT
SCHEMBL4389354 0.83 KMT2A (0.55) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3281488 0.82 MAPT (0.69) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL16056068 0.81 BCL9 (0.65) KMT2ABCL9CTNNB1MEN1MAPT
SCHEMBL5022220 0.81 HTR2A (0.63) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL28060070 0.80 BCL9 (0.60) KMT2ABCL9CTNNB1MEN1MAPT
SCHEMBL9827799 0.80 KMT2A (0.59) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6554205 0.80 KMT2A (0.57) KMT2ABCL9CTNNB1MEN1MAPT
SCHEMBL5957779 0.80 KMT2A (0.62) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354583-B1 DC-88A derivatives KYOWA HAKKO KOGYO KK (JP) 1993-11-03 EP disclosed
US-5117006-A DC-88A DERIVATIVES USEFUL AS ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-26 US disclosed
US-5084468-A Antitumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-01-28 US disclosed
EP-0354583-A1 DC-88A derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-02-14 EP disclosed