SCHEMBL6629933

SCHEMBL6629933

C1=CN(Cc2ccccc2)c2cc3ccccc3cc2C=N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
NSD2 O96028 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.37
KMT2A Q03164 3/20 0.36
NR1H3 Q13133 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CYP19A1 P11511 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
ADORA2A P29274 1/20 0.32
CCR2 P41597 1/20 0.31
SLC9A1 P19634 1/20 0.31
GRM2 Q14416 1/20 0.31
PIK3CD O00329 1/20 0.31

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
SCHEMBL3523519 0.83 LMNA (0.39) LMNANSD2HPGDRECQLNR1H3
SCHEMBL3689968 0.78 ALDH1A1 (0.36) KMT2AALDH1A1CYP19A1
SCHEMBL5804783 0.77 KDM4E (0.40) ALDH1A1CYP19A1CYP3A4KDM4ECYP1A2
SCHEMBL3517642 0.72 ALDH1A1 (0.44) LMNAALDH1A1KDM4E
SCHEMBL3524193 0.72 ELANE (0.36) LMNANSD2HPGDKMT2AALDH1A1
SCHEMBL6629608 0.72 HTR3E (0.36) LMNANSD2HPGDKMT2ACYP19A1
SCHEMBL11389444 0.62 MAPT (0.33) ALDH1A1SMN1; SMN2SLC9A1KDM4E
SCHEMBL9527213 0.62 LMNA (0.31) LMNA
SCHEMBL1078286 0.60 SIGMAR1 (0.48) LMNANSD2HPGDKMT2AALDH1A1
SCHEMBL11868744 0.59 MAPT (0.38) LMNANSD2KMT2AALDH1A1GAA

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-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP claimed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP claimed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO claimed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed