SCHEMBL10752189

SCHEMBL10752189

CC(C)C(=O)Oc1cccc2cccnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.60
METAP2 P50579 1/20 0.60
METAP1 P53582 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
KDM4E B2RXH2 6/20 0.57
POLB P06746 4/20 0.57
L3MBTL1 Q9Y468 5/20 0.57
HSP90AA1 P07900 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 1/20 0.56
USP2 O75604 1/20 0.55
NPSR1 Q6W5P4 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALOX15 P16050 1/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.50
PRSS1 P07477 1/20 0.49
ACR P10323 1/20 0.49

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
SCHEMBL7364217 0.83 L3MBTL1 (0.62) LMNAMETAP2METAP1HDAC6KDM4E
SCHEMBL250301 0.82 LMNA (0.65) LMNAMETAP2METAP1HDAC6KDM4E
SCHEMBL10751830 0.82 LMNA (0.60) LMNAMETAP2METAP1HDAC6KDM4E
SCHEMBL28459061 0.82 LMNA (0.69) LMNAMETAP2METAP1HDAC6KDM4E
SCHEMBL30471974 0.81 LMNA (0.56) LMNAMETAP2METAP1HDAC6KDM4E
SCHEMBL30471957 0.81 LMNA (0.53) LMNAMETAP2METAP1HDAC6KDM4E
SCHEMBL10750474 0.81 LMNA (0.63) LMNAMETAP2METAP1HDAC6KDM4E
Hydrochloric Acid SCHEMBL2563239 0.81 LMNA (0.63) LMNAMETAP2METAP1HDAC6KDM4E
Butanedione SCHEMBL5530736 0.81 LMNA (0.63) LMNAMETAP2METAP1HDAC6KDM4E
SCHEMBL4457246 0.81 LMNA (0.66) LMNAMETAP2METAP1HDAC6KDM4E

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-4710508-A ANALGESICS WARNER-LAMBERT COMPANY (US) 1987-12-01 US claimed
US-4710508-A ANALGESICS WARNER-LAMBERT COMPANY (US) 1987-12-01 US disclosed