SCHEMBL1127127

SCHEMBL1127127

C=CCN(C(=O)O)c1ccccc1C(=O)Cc1ccnc(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SHMT1 P34896 1/20 0.30
SHMT2 P34897 1/20 0.30
ATF1 P18846 1/20 0.30
NFKB1 P19838 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
SCHEMBL1127174 0.91
SCHEMBL1127066 0.89 KDM4E (0.30) KDM4E
SCHEMBL1127164 0.88 TSHR (0.34) TSHRKDM4EMEN1KMT2A
SCHEMBL1127526 0.79 PDK1 (0.33) ATF1NFKB1
SCHEMBL1127305 0.79 KDM4E (0.30) KDM4E
SCHEMBL1127068 0.79 RAB9A (0.34) NPC1RAB9AMEN1KMT2ASHMT1
SCHEMBL1127118 0.78 RAB9A (0.35) NPC1RAB9AALDH1A1TSHRKDM4E
SCHEMBL24760921 0.75 ERCC5 (0.44) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL1127144 0.74 AGTR1 (0.30) ALDH1A1
SCHEMBL1127147 0.74 AGTR1 (0.30) ALDH1A1

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-2282636-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2011-02-16 EP disclosed