SCHEMBL3403000

SCHEMBL3403000

CCCOc1ccc(-c2nc(C)c(C(=O)NCCN(CC)CC)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MAPT P10636 4/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TARBP2 Q15633 1/20 0.47
▸ PPARA Q07869 7/20 0.47
▸ TP53 P04637 1/20 0.46
▸ PPARD Q03181 4/20 0.46
▸ PPARG P37231 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL3396720 0.92 MAPT (0.56) NPC1HPGDMAPTSMN1; SMN2TARBP2
SCHEMBL3405790 0.82 TARBP2 (0.47) MAPTTARBP2PPARAPPARDMEN1
SCHEMBL3400463 0.82 PPARA (0.54) NPC1HPGDMAPTSMN1; SMN2PPARA
SCHEMBL3406028 0.81 GLA (0.50) NPC1HPGDMAPTTARBP2PPARA
SCHEMBL3399977 0.79 TSHR (0.53) NPC1HPGDMAPTSMN1; SMN2PPARA
SCHEMBL3401121 0.79 AGER (0.47) NPC1HPGDMAPTTP53
SCHEMBL3405796 0.78 ALDH1A1 (0.48) NPC1HPGDMAPTSMN1; SMN2PPARA
SCHEMBL25828324 0.78 XDH (0.54) NPC1HPGDMAPTTARBP2MEN1
SCHEMBL13310379 0.78 ACKR3 (0.50) NPC1HPGDMAPTPPARAPPARD
SCHEMBL23957007 0.76 HPGD (0.51) NPC1HPGDMAPTSMN1; SMN2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 — — US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 — — US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 — — US disclosed
Send feedback