SCHEMBL2921386

SCHEMBL2921386

CCCNc1nc(N2CCN(c3ccc(NC(=O)c4ccncc4)cc3)CC2)nc2c1SCC2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.47
▸ USP2 O75604 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CTNNB1 P35222 1/20 0.39
▸ TCF7L2 Q9NQB0 1/20 0.39
▸ SLC2A1 P11166 2/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ ABCB1 P08183 1/20 0.38

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
SCHEMBL3948726 0.80 CETP (0.45) TSHRKMT2AMEN1ALDH1A1
SCHEMBL2916952 0.80 PDE11A (0.42) MAPTUSP2HSD17B10HPGDTSHR
SCHEMBL3027474 0.77 CHRNA10 (0.37) TSHRKMT2AMEN1ALDH1A1
SCHEMBL2923250 0.77 KMT2A (0.41) MAPTUSP2HSD17B10HPGDKMT2A
SCHEMBL18683972 0.69 CCNA2 (0.36) MAPTUSP2HSD17B10KMT2AMEN1
SCHEMBL3023070 0.65 KARS1 (0.43) MAPTUSP2HSD17B10HPGDTSHR
SCHEMBL22495406 0.64 RAB9A (0.77) MAPTUSP2HSD17B10HPGDKMT2A
SCHEMBL588747 0.64 CCR1 (0.39) MAPTTSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL1663780 0.64 MAPT (0.66) MAPTHPGDKMT2AMEN1NPC1
SCHEMBL13212450 0.63 ALDH1A1 (0.40) MAPTHPGDTSHRKMT2AMEN1

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
EP-1874781-B9 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2010-09-08 — — EP disclosed
EP-1874781-B1 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-06-24 — — EP disclosed
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