SCHEMBL8778009

SCHEMBL8778009

Cc1cccc(CN2CCc3cc(N(C)C(N)=O)ccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
TNF P01375 1/20 0.41
GFER P55789 1/20 0.41
AMPD2 Q01433 1/20 0.40
HTT P42858 1/20 0.39
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL9086492 0.82 BRD4 (0.47) BRD4ALDH1A1KDM4ECYP3A4RECQL
SCHEMBL9535250 0.81 HDAC1 (0.49) MEN1KMT2A
SCHEMBL8778007 0.80 LMNA (0.50) BRD4ALDH1A1KDM4ECYP3A4RECQL
SCHEMBL29572414 0.74 BRD4 (0.58) BRD4ALDH1A1KDM4ECYP3A4RECQL
SCHEMBL19428145 0.74 BRD4 (0.58) BRD4ALDH1A1KDM4ECYP3A4RECQL
SCHEMBL17358767 0.74 BRD4 (0.45) BRD4ALDH1A1KDM4ECYP3A4RECQL
SCHEMBL16495220 0.73 MAPT (0.46) BRD4ALDH1A1TNFGFER
SCHEMBL16495267 0.72 MAPT (0.47) ALDH1A1TNFHTT
Methane SCHEMBL27429811 0.70 TNF (0.46) BRD4TNF
SCHEMBL14149903 0.70 ALOX5 (0.48) ALDH1A1KDM4ERECQLMEN1POLB

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-0651743-B1 INDOLINYL N-HYDROXYUREA AND N-HYDROXAMIC ACID DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-12-17 EP disclosed