SCHEMBL5804474

SCHEMBL5804474

C1=CN(COc2ccccc2)c2ccccc2C=N1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNA3 P22001 1/20 0.32
VCP P55072 2/20 0.32
KCNH2 Q12809 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
LTA4H P09960 1/20 0.30
PLA2G2A P14555 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RECQL P46063 1/20 0.30
HTR1A P08908 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL4250722 0.70 SLC9A1 (0.38) SMN1; SMN2MAPK1ALDH1A1HTR1A
SCHEMBL4908709 0.66 P2RX4 (0.31)
SCHEMBL11882961 0.66 LMNA (0.31) TSHRMAPK1
SCHEMBL3635590 0.65 P2RX4 (0.39) SMN1; SMN2TSHRMAPK1ALDH1A1
SCHEMBL11020384 0.64 SIGMAR1 (0.39) SMN1; SMN2TSHRALDH1A1
SCHEMBL10371993 0.60 P2RX1 (0.35)
SCHEMBL3521402 0.60 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1
SCHEMBL5808286 0.60 MAPT (0.30)
SCHEMBL7334709 0.60 LMNA (0.47) SMN1; SMN2TSHRMAPK1
SCHEMBL2405951 0.58 TRPA1 (0.32) SMN1; SMN2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005089515-A9 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES BRIGHAM & WOMENS HOSPITAL (US) 2006-01-26 WO claimed
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO claimed
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
WO-2005089515-A9 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES BRIGHAM & WOMENS HOSPITAL (US) 2006-01-26 WO disclosed
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO disclosed
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