SCHEMBL3404284

SCHEMBL3404284

CCN(CC)CCN(C)C(=O)c1sc(-c2cc(F)c(OC)cc2F)nc1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.46
CTSA P10619 1/20 0.35
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAD52 P43351 3/20 0.34
MEN1 O00255 3/20 0.34
GYS1 P13807 1/20 0.34
PPARA Q07869 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL3404884 0.85 HTR2C (0.43) HTR2CALDH1A1TP53SMN1; SMN2PPARA
SCHEMBL3404806 0.83 HTR2C (0.41) HTR2CKMT2AALDH1A1TP53SMN1; SMN2
SCHEMBL3404998 0.82 HTR2C (0.47) HTR2CCTSAKMT2AALDH1A1SMN1; SMN2
SCHEMBL3402113 0.82 HTR2C (0.47) HTR2CKMT2AALDH1A1MEN1
SCHEMBL3399781 0.81 HTR2C (0.46) HTR2CKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL3405451 0.81 HTR2C (0.43) HTR2CKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL3402536 0.80 HTR2C (0.52) HTR2CKMT2AALDH1A1SMN1; SMN2RAD52
SCHEMBL3405730 0.80 HTR2C (0.46) HTR2CCTSAALDH1A1TP53SMN1; SMN2
SCHEMBL3400089 0.80 HTR2C (0.49) HTR2CKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL3405734 0.80 PPARD (0.46) HTR2CALDH1A1TP53SMN1; 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