SCHEMBL28046856

SCHEMBL28046856

O=C(Cl)c1cc(-c2ccccc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.50
HDAC1 Q13547 1/20 0.49
EGFR P00533 1/20 0.47
CTSA P10619 2/20 0.47
CNR1 P21554 1/20 0.47
PLAU P00749 1/20 0.46
FDPS P14324 1/20 0.44
LMNA P02545 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR2 P34972 1/20 0.43
SMO Q99835 2/20 0.43
USP30 Q70CQ3 1/20 0.42
NOTUM Q6P988 1/20 0.41

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
SCHEMBL27882253 0.84 EGFR (0.50) KMOHDAC1EGFRCTSACNR1
SCHEMBL725162 0.84 KMO (0.62) KMOHDAC1EGFRPLAULMNA
SCHEMBL30274913 0.81 ALDH1A1 (0.57) KMOHDAC1EGFRCTSACNR1
SCHEMBL2935534 0.81 PLAU (0.54) KMOHDAC1EGFRPLAUFDPS
SCHEMBL29735324 0.81 PLAU (0.54) KMOHDAC1EGFRPLAUFDPS
SCHEMBL27847068 0.79 CCNC (0.62) KMOHDAC1EGFRCTSACNR1
SCHEMBL25262251 0.77 CTSA (0.53) HDAC1EGFRCTSAPLAUFDPS
SCHEMBL29735406 0.77 ALDH1A1 (0.51) HDAC1EGFRCTSALMNA
SCHEMBL13187686 0.77 HDAC8 (0.54) HDAC1EGFRCTSAFDPSUSP30
SCHEMBL12468522 0.77 CNR2 (0.54) KMOHDAC1EGFRCTSAPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153190-B Heterocycle miazines compound of the amide structure containing biaryl and its preparation method and application 江西科技师范大学 2017-07-21 CN disclosed
CN-105153190-A Biaryl amide structure containing heterocyclopyrimidine compound as well as preparation method and applications thereof UNIV JIANGXI NORMAL SCI & TECH 2015-12-16 CN disclosed