SCHEMBL28100653

SCHEMBL28100653

N#Cc1nn(F)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.53
F2 P00734 1/20 0.44
PLAU P00749 1/20 0.44
CTRB1 P17538 1/20 0.44
BCAT1 P54687 2/20 0.44
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
IMPDH2 P12268 1/20 0.38
POLB P06746 1/20 0.38
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.33
CYP11B2 P19099 1/20 0.33
GAA P10253 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL1777889 0.77 ELANE (0.53) ELANEF2PLAUCTRB1BCAT1
SCHEMBL28145983 0.77 ELANE (0.53) ELANEF2PLAUCTRB1BCAT1
SCHEMBL29502090 0.77 ELANE (0.53) ELANEF2PLAUCTRB1BCAT1
SCHEMBL29794152 0.77 ELANE (0.53) ELANEF2PLAUCTRB1BCAT1
SCHEMBL31196219 0.77 ELANE (0.49) ELANEF2PLAUCTRB1BCAT1
SCHEMBL30201876 0.74 BCAT1 (0.66) ELANEF2PLAUCTRB1BCAT1
SCHEMBL23994382 0.73 ELANE (0.46) ELANEF2PLAUCTRB1BCAT1
SCHEMBL15759319 0.72 ELANE (0.44) ELANEF2PLAUCTRB1BCAT1
SCHEMBL2723844 0.72 ELANE (0.51) ELANEF2PLAUCTRB1BCAT1
SCHEMBL3532632 0.71 GPR3 (0.36) ALDH1A1KDM4EPOLBSMN1; SMN2KMT2A

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
CN-104619698-B Pyrrolidin derivatives and the purposes as complement pathway regulator thereof 诺华股份有限公司 2016-08-31 CN disclosed