SCHEMBL8555826

SCHEMBL8555826

C=CCNC(=O)c1ccc2c(C(=O)C(C)C)c(CCC)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 4/20 0.42
KDM4E B2RXH2 4/20 0.40
GAA P10253 4/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HTR3A P46098 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL8556645 0.82 PARP1 (0.52) KMT2AMEN1HPGDKDM4EGAA
SCHEMBL7422734 0.81 KDM4E (0.44) KMT2AMEN1HPGDKDM4EGAA
SCHEMBL7422800 0.80 KMT2A (0.58) KMT2AMEN1HPGDKDM4EGAA
SCHEMBL18073895 0.80 ROCK2 (0.56) KDM4EALDH1A1LMNACYP3A4CYP2C9
SCHEMBL7424222 0.80 HSD17B10 (0.43) KMT2AMEN1KDM4EGAAALDH1A1
SCHEMBL8556446 0.79 SCD (0.41) KMT2AMEN1HPGDKDM4EGAA
SCHEMBL7710536 0.79 HDAC3 (0.46) KMT2AMEN1TP53SMN1; SMN2
SCHEMBL8629096 0.79 MAPT (0.55) KMT2AMEN1HPGDKDM4EGAA
SCHEMBL8554262 0.78 ALDH1A1 (0.54) KMT2AMEN1HPGDKDM4EGAA
SCHEMBL7707705 0.78 SMN1; SMN2 (0.42) KMT2AMEN1KDM4EGAAALDH1A1

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
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed