SCHEMBL3404554

SCHEMBL3404554

CCN(CC)CCN(C)C(=O)c1sc(-c2ccc(F)c(F)c2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.42
PPARA Q07869 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 3/20 0.40
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 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
SCHEMBL3396808 0.92 KMT2A (0.45) HTR2CALDH1A1KMT2AMAPTMEN1
SCHEMBL3404884 0.90 HTR2C (0.43) HTR2CALDH1A1MAPTTRPM8PPARA
SCHEMBL3400771 0.88 HTR2C (0.45) HTR2CALDH1A1KMT2AMAPTMEN1
SCHEMBL3399563 0.86 HTR2C (0.43) HTR2CALDH1A1KMT2AMAPTMEN1
SCHEMBL13309741 0.86 RAB9A (0.56) HTR2CALDH1A1KMT2AMAPTMEN1
SCHEMBL13071536 0.86 HTR2C (0.43) HTR2CALDH1A1KMT2AMAPTMEN1
SCHEMBL3405166 0.86 HTR2C (0.51) HTR2CALDH1A1KMT2AMAPTMEN1
SCHEMBL3403876 0.86 KMT2A (0.45) HTR2CALDH1A1KMT2AMAPTMEN1
SCHEMBL3405467 0.85 TRPM8 (0.47) HTR2CALDH1A1KMT2AMAPTMEN1
SCHEMBL3404998 0.85 HTR2C (0.47) HTR2CALDH1A1KMT2AMAPTMEN1

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