SCHEMBL7669294

SCHEMBL7669294

COc1nn(C)c(=O)n1Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HCRTR1 O43613 10/20 0.44
HCRTR2 O43614 10/20 0.44
DRD4 P21917 1/20 0.43
MAPT P10636 1/20 0.41
PIK3CD O00329 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP19A1 P11511 1/20 0.41
HPGD P15428 1/20 0.41
BCL2L2 Q92843 1/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL7690530 0.90 AVPR2 (0.44) MEN1ALDH1A1KMT2AMAPTPIK3CD
SCHEMBL7660231 0.89 MEN1 (0.41) MEN1ALDH1A1KMT2ASMN1; SMN2DRD4
SCHEMBL7667952 0.85 FAAH (0.56) MEN1ALDH1A1KMT2ASMN1; SMN2HCRTR1
SCHEMBL7672546 0.83 MAPT (0.52) MEN1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL7667797 0.83 MAPT (0.42) MEN1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL7660238 0.82 PIK3CD (0.43) SMN1; SMN2MAPTPIK3CDHPGD
SCHEMBL7669055 0.81 HPGD (0.45) MEN1ALDH1A1KMT2AMAPTADORA3
SCHEMBL7671615 0.81 HPGD (0.41) SMN1; SMN2MAPTPIK3CDHPGD
SCHEMBL7664588 0.80 LMNA (0.45) MEN1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL7666504 0.80 MAPT (0.43) MEN1ALDH1A1KMT2AMAPTPIK3CD

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-6489487-B1 AGRICULTURAL OR HORTICULTURAL FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-03 US disclosed
EP-1103548-A1 TRIAZOLONE DERIVATIVES, USE THEREOF, AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-05-30 EP disclosed