SCHEMBL3404918

SCHEMBL3404918

CCN(C)CCN(CC)C(=O)c1sc(-c2ccc(-c3ccc(OC)cc3)cc2)nc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 2/20 0.50
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TARBP2 Q15633 1/20 0.44
PPARA Q07869 2/20 0.44
ALOX5 P09917 1/20 0.43
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
PRMT1 Q99873 2/20 0.42
KDM4E B2RXH2 2/20 0.41
PTPN11 Q06124 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL13071478 0.89 CDC7 (0.44) MAPTRAB9ASMN1; SMN2HPGDNPC1
SCHEMBL3401729 0.89 RAB9A (0.54) MAPTRAB9ASMN1; SMN2HPGDNPC1
SCHEMBL3403795 0.89 NPC1 (0.47) MAPTRAB9ASMN1; SMN2HPGDNPC1
SCHEMBL3402280 0.88 CDC7 (0.44) MAPTRAB9ASMN1; SMN2HPGDNPC1
SCHEMBL3401528 0.88 PPARA (0.52) MAPTRAB9ASMN1; SMN2HPGDTSHR
SCHEMBL3398655 0.87 TRPM8 (0.47) MAPTRAB9ASMN1; SMN2HPGDTP53
SCHEMBL3404948 0.87 SMN1; SMN2 (0.56) MAPTRAB9ASMN1; SMN2HPGDNPC1
SCHEMBL3400511 0.86 NPC1 (0.43) MAPTRAB9ASMN1; SMN2HPGDNPC1
SCHEMBL3403051 0.85 SMN1; SMN2 (0.43) MAPTRAB9ASMN1; SMN2HPGDNPC1
SCHEMBL3405629 0.85 CRHR1 (0.43) MAPTRAB9ASMN1; SMN2HPGDNPC1

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-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
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed