SCHEMBL8071876

SCHEMBL8071876

COc1cc2nc(N3CCC(Nc4ccc(C(=O)OC(C)(C)C)cc4)CC3)[nH]c(=O)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.46
NSD2 O96028 1/20 0.45
DNMT3A Q9Y6K1 1/20 0.44
EHMT2 Q96KQ7 2/20 0.43
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
MAPT P10636 1/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ESR1 P03372 1/20 0.42
KMT5A Q9NQR1 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL8071856 0.89 MGLL (0.47) MGLLEHMT2MAPTPOLBLMNA
SCHEMBL8061075 0.83 EHMT2 (0.48) NSD2DNMT3AEHMT2ALDH1A1KMT5A
SCHEMBL8076826 0.83 ADRA1A (0.56)
SCHEMBL8076863 0.81 ALDH1A1 (0.50) MAPTPOLBLMNAALDH1A1HTT
SCHEMBL8070274 0.79 CCR4 (0.52) EHMT2KMT5A
SCHEMBL8071618 0.79 DNMT1 (0.45) NSD2DNMT3AEHMT2MAPTALDH1A1
SCHEMBL8077026 0.76 ADRA1A (0.60)
SCHEMBL8070244 0.71 EHMT2 (0.52) EHMT2
SCHEMBL20422061 0.71 MAPT (0.45) MAPTPOLBALDH1A1ITGB3ITGA2B
SCHEMBL8071878 0.71 GPR119 (0.56) MAPTALDH1A1MEN1KMT2AHTT

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-6156758-A Antibacterial quinazoline compounds ISIS PHARMACEUTICALS, INC. (US) 2000-12-05 US disclosed