SCHEMBL13825152

SCHEMBL13825152

Cc1ccc(CCC=O)c(Cl)n1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.32
TKT P29401 1/20 0.32
EGFR P00533 3/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
CCR1 P32246 1/20 0.30
RAB9A P51151 1/20 0.30
CCR5 P51681 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3629593 0.81 TKT (0.33) S1PR4TKTEGFRCCR1RAB9A
SCHEMBL9181886 0.77 CTRC (0.38) S1PR4EGFRCCR1RAB9ACCR5
SCHEMBL25606394 0.73 POLB (0.33) S1PR4TKTEGFRKMT2A
SCHEMBL3433107 0.72 KMT2A (0.47) S1PR4EGFRCCR1RAB9ACCR5
SCHEMBL24094560 0.71 CCR1 (0.36) S1PR4EGFRCCR1RAB9ACCR5
SCHEMBL6320237 0.71 ALDH1A1 (0.45) TKTEGFRCCR1RAB9ACCR5
SCHEMBL25585826 0.71 CCR1 (0.36) S1PR4EGFRCCR1RAB9ACCR5
SCHEMBL31139119 0.71 ALDH1A1 (0.45) TKTEGFRCCR1RAB9ACCR5
SCHEMBL10939643 0.71 POLB (0.37) EGFRLMNACCR1RAB9ACCR5
SCHEMBL11846794 0.70 TLR8 (0.40) S1PR4TKTKMT2A

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-2012150829-A2 NOBLE TRIAZOLOPYRIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PRODUCTION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME 제일약품주식회사 (KR) 2012-11-08 WO disclosed