SCHEMBL6163974

SCHEMBL6163974

O=C(SCC(Cc1ccccc1)C(=O)Nc1ccc(-c2cccnc2)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.46
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
IGF1R P08069 1/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
FLT1 P17948 1/20 0.45
LTK P29376 1/20 0.45
KDR P35968 1/20 0.45
FLT3 P36888 1/20 0.45
CLK2 P49760 1/20 0.45
CDK7 P50613 1/20 0.45
RPS6KA3 P51812 1/20 0.45
CDK5 Q00535 1/20 0.45
MAP2K1 Q02750 1/20 0.45

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
SCHEMBL6169697 0.90 ROCK2 (0.40) ABL1SMN1; SMN2HDAC8CTSLCTSS
SCHEMBL6166677 0.87 PPARG (0.44) PKMWNT3ARAB9AROCK2ROCK1
SCHEMBL6168939 0.83 TRPV1 (0.44)
SCHEMBL6165543 0.83 MMP12 (0.53) MMP12LMNAALDH1A1HSD17B10CTSV
SCHEMBL6167389 0.83 ECE1 (0.51) MMP12PKMWNT3ANAMPTMEN1
SCHEMBL6160645 0.82 MMP12 (0.50) MMP12LMNAKMT2ACTSVCTSL
SCHEMBL6160649 0.82 MMP12 (0.50) MMP12LMNAKMT2ACTSVCTSL
SCHEMBL10438783 0.81 SMN1; SMN2 (0.48) KDM4EMEN1ALDH1A1HPGDHTT
SCHEMBL6167624 0.81 HDAC2 (0.42) PKMHDAC8
SCHEMBL6165947 0.78 TAAR1 (0.49) KDM4EMEN1USP2ALDH1A1MAPT

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
EP-0877740-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-03-30 EP claimed