SCHEMBL7977935

SCHEMBL7977935

COc1ccc(-c2[nH]c(-c3ccc(N4CCCC4)cc3)nc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.53
MAPT P10636 7/20 0.50
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.50
CYP1A2 P05177 2/20 0.50
GAA P10253 2/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.50
CYP2C19 P33261 1/20 0.50
GFER P55789 1/20 0.50
NR4A1 P22736 1/20 0.46
RAB9A P51151 1/20 0.46
MCL1 Q07820 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
NOX1 Q9Y5S8 1/20 0.45
DGAT1 O75907 1/20 0.45
TP53 P04637 3/20 0.45

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
SCHEMBL7989265 0.87 SIRT2 (0.47) CHEK2MAPTALDH1A1KMT2AKDM4E
SCHEMBL7989867 0.86 SIRT2 (0.58) CHEK2MAPTALDH1A1KMT2AMEN1
SCHEMBL7991843 0.85 AURKA (0.45) CHEK2MAPTALDH1A1KMT2AHPGD
SCHEMBL7977819 0.85 CHEK2 (0.51) CHEK2MAPTALDH1A1KMT2AKDM4E
SCHEMBL7989662 0.84 LMNA (0.45) CHEK2MAPTALDH1A1KMT2AHPGD
SCHEMBL7989895 0.84 CHEK2 (0.50) CHEK2MAPTALDH1A1KDM4EHPGD
SCHEMBL7995495 0.81 MAPK13 (0.63) CHEK2MAPTALDH1A1KMT2AKDM4E
SCHEMBL15075613 0.81 MAPK13 (0.63) CHEK2MAPTALDH1A1KMT2AKDM4E
SCHEMBL7989394 0.80 KMT2A (0.53) CHEK2MAPTALDH1A1KMT2AKDM4E
SCHEMBL7995795 0.79 KMT2A (0.52) CHEK2MAPTALDH1A1KMT2AKDM4E

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed