SCHEMBL6977349

SCHEMBL6977349

CCOC(=O)CNc1cccc2ncccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
HDAC6 Q9UBN7 3/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
ELANE P08246 1/20 0.50
POLB P06746 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
SCHEMBL12749491 0.81 MAPK8 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5511988 0.80 MEN1 (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6985945 0.80 HPGD (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2158737 0.80 NSD2 (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL697406 0.79 HPGD (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6984768 0.78 HTR1A (0.59) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL2160103 0.78 NSD2 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5364135 0.77 MEN1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL16269205 0.75 HDAC6 (0.51) SMN1; SMN2ALDH1A1HTTHDAC6ELANE
SCHEMBL6985061 0.74 ELANE (0.46) SMN1; SMN2ALDH1A1HTTELANEPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289953-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096304-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed