SCHEMBL6822798

SCHEMBL6822798

O=c1c2nc(C#CCc3ccc(F)cc3)sc2ncn1Cc1ccc(F)cc1.O=c1c2nc(C#CCc3ccccc3)sc2ncn1Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 8/20 0.56
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KCNH2 Q12809 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
CTSL P07711 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 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
SCHEMBL6704886 1.00 MMP13 (0.56) MMP13MEN1KMT2AMAPTRXFP1
SCHEMBL6694949 0.96 MMP13 (0.49) MMP13MEN1KMT2AMAPTRXFP1
SCHEMBL6703411 0.83 MMP13 (0.56) MMP13MEN1KMT2AMAPTRXFP1
SCHEMBL6697107 0.78 MMP13 (0.60) MMP13MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6698919 0.78 CNR2 (0.53) MMP13MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6704369 0.77 MEN1 (0.50) MMP13MEN1KMT2AMAPTRXFP1
SCHEMBL6699569 0.76 MMP13 (0.57) MMP13MEN1KMT2AMAPTRXFP1
SCHEMBL6696589 0.73 MMP13 (0.56) MMP13MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6698933 0.72 MMP13 (0.49) MMP13MEN1KMT2AMAPTRXFP1
SCHEMBL6297353 0.72 MMP13 (1.00) MMP13SMN1; SMN2L3MBTL1

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
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed