SCHEMBL6743436

SCHEMBL6743436

COc1ccc(-c2ccc(F)cc2)c2nc(NC(=O)c3ccc(Br)cc3)nn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
ADCY1 Q08828 2/20 0.42
JAK2 O60674 2/20 0.41
MAPT P10636 5/20 0.40
F2 P00734 2/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
JAK3 P52333 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
OPRK1 P41145 1/20 0.38
RECQL P46063 1/20 0.38
CCR6 P51684 1/20 0.38

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
SCHEMBL5774953 0.95 LMNA (0.46) LMNAADCY1JAK2MAPTF2
SCHEMBL5770812 0.90 MAPT (0.48) LMNAJAK2MAPTF2KMT2A
SCHEMBL5774131 0.90 LMNA (0.53) LMNAJAK2MAPTF2KMT2A
SCHEMBL5776616 0.83 MAPT (0.45) JAK2MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL5774009 0.83 JAK2 (0.48) LMNAADCY1JAK2MAPTKMT2A
SCHEMBL5775294 0.82 KMT2A (0.47) LMNAMAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL5771367 0.80 KDM4E (0.47) LMNAJAK2MAPTJAK3KDM4E
SCHEMBL6646981 0.79 KDM4E (0.47) LMNAMAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL5775847 0.74 RAB9A (0.52) LMNAMAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL5777381 0.74 GRM5 (0.46) MAPTKMT2ARAB9ANPC1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693116-B2 8-PHENYL-(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-2-YL)-BENZAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2004-02-17 US disclosed