SCHEMBL5331106

SCHEMBL5331106

CCC(C)Nc1c(-c2ccc3c(c2Cl)COC3=O)c(Cl)nc2ncnn12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.32
LMNA P02545 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 3/20 0.30
HTT P42858 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
ENPP1 P22413 1/20 0.30
MAPK1 P28482 1/20 0.30
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL5329915 0.91 LMNA (0.35) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5495634 0.89 LMNA (0.32) LMNAALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL5495636 0.89 LMNA (0.32) LMNAALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL5328145 0.87 AAK1 (0.32) LMNAALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL5328138 0.87 AAK1 (0.32) LMNAALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL5329828 0.81 MBOAT4 (0.33) LMNAALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL5328026 0.79 L3MBTL1 (0.32) LMNAALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL5328032 0.79 L3MBTL1 (0.32) LMNAALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL4811963 0.77 ENPP1 (0.36) CRHR1LMNAMEN1KMT2AALDH1A1
SCHEMBL5325221 0.74 LMNA (0.39) LMNAMEN1KMT2AALDH1A1HTT

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
WO-2007147829-A1 AZOLOPYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING HARMFUL FUNGI BASF SE (DE) 2007-12-27 WO disclosed