SCHEMBL9470286

SCHEMBL9470286

CC(C)(C)[Si](C)(C)OCCSCc1cccnc1Nc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.36
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
MAPT P10636 5/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
BUB1 O43683 1/20 0.34
RAB9A P51151 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 1/20 0.34
GRM4 Q14833 1/20 0.33
HTT P42858 2/20 0.32
NPC1 O15118 2/20 0.32
GRM5 P41594 1/20 0.32
SGMS1 Q86VZ5 3/20 0.32
SGMS2 Q8NHU3 3/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL9469965 0.76 DHODH (0.48) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL9074261 0.76 CYP1A2 (0.47) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL9470118 0.74 POLB (0.32) ALDH1A1GAA
SCHEMBL9839221 0.71 L3MBTL1 (0.41) MEN1KMT2AALDH1A1RAB9ANPSR1
SCHEMBL1908379 0.69 DHODH (0.56) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL9753940 0.69 BRD4 (0.48) DHODHMEN1KMT2AMAPTALDH1A1
SCHEMBL20143858 0.67 EHMT2 (0.44) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL31574171 0.67 NOS3 (0.33)
SCHEMBL21122006 0.66 BACE1 (0.40) ALDH1A1HTTGRM5
SCHEMBL5252795 0.66 DHODH (0.51) DHODHMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5182289-A Pyrrolo 2,3-b!Pyridin-2-one Derivatives SCHERING CORPORATION (US) 1993-01-26 US disclosed
EP-0419561-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1991-04-03 EP disclosed
WO-1989012637-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1989-12-28 WO disclosed
EP-0347698-A1 Heterobicyclic compounds having antiinflammatory activity SCHERING CORPORATION (US) 1989-12-27 EP disclosed