SCHEMBL6741728

SCHEMBL6741728

CCOc1cc(CBr)ccc1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 3/20 0.39
MAPK1 P28482 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
PDE4A P27815 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL7651768 0.84 CALM1 (0.49) CALM1MAPK1MEN1KMT2ACYP3A4
SCHEMBL2710343 0.81 ALDH1A1 (0.43) ALDH1A1MAPTGAATHRB
SCHEMBL28620316 0.81 LMNA (0.41) CALM1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL30147378 0.80 CA2 (0.47) MAPK1TSHRALDH1A1MAPTKDM4E
SCHEMBL3782409 0.80 CA2 (0.47) MAPK1TSHRALDH1A1MAPTKDM4E
SCHEMBL6939626 0.79 CYP4F2 (0.51) CALM1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL6394052 0.79 LMNA (0.39) MAPK1MEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL1391227 0.77 MAPT (0.49) CALM1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12797858 0.76 MAPT (0.48) CALM1MAPK1MEN1KMT2ACYP3A4
SCHEMBL3721818 0.76 CSNK2A1 (0.51) MEN1KMT2ASMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693158-B2 ORGANONITROGEN, ORGANOOXYGEN POLYMER NATIONAL SCIENCE COUNCIL (TW) 2004-02-17 US disclosed
US-20030109656-A1 Electroluminiscent conjugated polymers modified with high eletronegative heterocyclic moieties and their applications in polymeric light emitting diodes NATIONAL SCIENCE COUNCIL TAIWAN CORPORATION (TW) 2003-06-12 US disclosed
US-6495644-B1 CONTAINING HETEROCYCLIC GROUPS SUCH AS 1,3,4-OXADIAZOLE-DIYL, 1,3,4-THIADIAZOLE-DIYL AND 1,2,4-TRIAZOLE-DIYL; HIGH EXTERNAL QUANTUM EFFICIENCY NATIONAL SCIENCE COUNCIL (TW) 2002-12-17 US disclosed