SCHEMBL3404510

SCHEMBL3404510

Cc1nc(-c2ccc3c(c2)OCO3)sc1C(=O)NCCN1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
ACHE P22303 1/20 0.48
CD274 Q9NZQ7 1/20 0.46
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CHRM4 P08173 1/20 0.45
POLR1A O95602 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL3396816 0.94 HPGD (0.57) HPGDACHECD274MAPTALDH1A1
SCHEMBL3405531 0.84 CHRM4 (0.49) HPGDMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL3399568 0.83 CHRM4 (0.51) HPGDSMN1; SMN2ALDH1A1NPC1CHRM4
SCHEMBL3400096 0.83 CHRM4 (0.49) HPGDMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL3406027 0.82 CHRM4 (0.50) HPGDSMN1; SMN2ALDH1A1NPC1CHRM4
SCHEMBL3400929 0.82 SCN9A (0.49) HPGDMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3398394 0.82 KDM4E (0.54) ACHEMAPTALDH1A1CHRM4LMNA
SCHEMBL3403888 0.82 MAPT (0.53) MAPTSMN1; SMN2NPC1LMNATP53
SCHEMBL3403441 0.81 NPSR1 (0.51) HPGDMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL3398904 0.81 POLB (0.60) HPGDACHEMAPTALDH1A1NPC1

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