SCHEMBL7709657

SCHEMBL7709657

CC(O)N(c1cc(-c2ccccc2)nc2ncnn12)C(C)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
ALDH1A1 P00352 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HPGD P15428 3/20 0.52
POLB P06746 2/20 0.52
MAPK1 P28482 3/20 0.51
TSHR P16473 2/20 0.51
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.47
MAPT P10636 2/20 0.46
UBE2M P61081 4/20 0.46
DCUN1D1 Q96GG9 4/20 0.46
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5146982 0.75 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL9823734 0.72 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL23657551 0.66 ALDH1A1 (0.83) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL15452766 0.64 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL8943817 0.63 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL5315895 0.61 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL5330370 0.61 ALDH1A1 (0.50) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL14506996 0.61 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL9538953 0.60 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL868954 0.60 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 US claimed
US-6369065-B1 CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS UCB S.A. (BE) 2002-04-09 US disclosed