SCHEMBL13668377

SCHEMBL13668377

[N-]=[N+]=Nc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCOCCNC(=O)/C(=C/c2ccc(N=[N+]=[N-])cc2)NC(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43

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
SCHEMBL13668378 0.90 LMNA (0.46) KMT2AMEN1SMN1; SMN2LMNACYP3A4
SCHEMBL16575968 0.86 LMNA (0.47) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL16576002 0.86 KMT2A (0.46) KMT2AMEN1SMN1; SMN2LMNACYP3A4
SCHEMBL13668376 0.84 KDM4E (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
SCHEMBL14340653 0.81 MEN1 (0.46) KMT2AMEN1SMN1; SMN2LMNACYP3A4
SCHEMBL13668375 0.80 RAB9A (0.46) KMT2AMEN1SMN1; SMN2LMNACYP3A4
SCHEMBL13970853 0.75 KDM4E (0.55) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL13668372 0.75 ALDH1A1 (0.42) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL16575982 0.75 NPC1 (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL14700374 0.74 MAPK1 (0.64) KMT2ASMN1; SMN2LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605191-B2 polyoxyethylene glycol having end group of acrylamide derivatives, can be curing to provide medical device a surface coating which has hydrophilicity and high bioadaptability TOYO GOSEI CO., LTD. (JP) 2009-10-20 — — US disclosed
Send feedback