SCHEMBL27864952

SCHEMBL27864952

C=CCS(=O)(=O)N(C(N)=O)c1ncc2ccccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TP53 P04637 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CCNK O75909 4/20 0.32
▸ CCNA2 P20248 4/20 0.32
▸ CDK2 P24941 4/20 0.32
▸ CDK7 P50613 4/20 0.32
▸ CCNH P51946 4/20 0.32
▸ MNAT1 P51948 4/20 0.32
▸ CDK12 Q9NYV4 4/20 0.32
▸ FGFR4 P22455 2/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL28034042 0.79 KDM4E (0.37) ALDH1A1KDM4E
SCHEMBL27515123 0.72 ALDH1A1 (0.39) ALDH1A1MAPTMEN1HTTKMT2A
SCHEMBL5675046 0.69 FGFR4 (0.45) LMNAKDM4ECCNKCCNA2CDK2
SCHEMBL27974064 0.69 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPTLMNAMEN1
SCHEMBL28565830 0.68 TLR8 (0.37) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL27880337 0.67 TRPV1 (0.42) ALDH1A1TP53TLR8RAB9A
SCHEMBL10696365 0.67 P2RX7 (0.35) ALDH1A1KDM4E
SCHEMBL7034328 0.66 TLR8 (0.33) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6464370 0.65 PLA2G10 (0.33) ALDH1A1KMT2A
SCHEMBL11292161 0.65 RAB9A (0.38) ALDH1A1L3MBTL1MAPTKMT2ATP53

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-102574817-A Aminoquinazoline compounds for combating invertebrate pests BASF SE 2012-07-11 — — CN disclosed
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