SCHEMBL3403795

SCHEMBL3403795

CCN(C)CCN(CC)C(=O)c1sc(-c2ccc(Oc3ccccc3)cc2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 6/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
TARBP2 Q15633 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
GAA P10253 2/20 0.44
PPARA Q07869 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MGLL Q99685 1/20 0.43
LMNA P02545 2/20 0.42
P2RX3 P56373 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 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
SCHEMBL3404918 0.89 MAPT (0.50) NPC1HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL3401729 0.86 RAB9A (0.54) NPC1HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL3402129 0.85 HTR2C (0.43) NPC1HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL3402280 0.85 CDC7 (0.44) NPC1HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL3401528 0.85 PPARA (0.52) NPC1HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL13071478 0.84 CDC7 (0.44) NPC1HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL3404948 0.84 SMN1; SMN2 (0.56) NPC1HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL3398655 0.84 TRPM8 (0.47) NPC1HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL3400511 0.83 NPC1 (0.43) NPC1HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL3405703 0.82 MCHR1 (0.52) NPC1HPGDALDH1A1SMN1; SMN2KMT2A

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