SCHEMBL3401249

SCHEMBL3401249

Cc1ccc(-c2nc(C)c(C(=O)N3CCC(N4CCCCCC4)CC3)s2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 7/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL3 Q96JM7 7/20 0.45
LMNA P02545 1/20 0.44
MBTD1 Q05BQ5 4/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
CES2 O00748 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
TP53BP1 Q12888 1/20 0.42
L3MBTL4 Q8NA19 1/20 0.42

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
SCHEMBL3405840 1.00 HTR2C (0.50) HTR2CMEN1KMT2AL3MBTL1KDM4E
SCHEMBL3405842 0.95 HTR2C (0.53) HTR2CMEN1KMT2AL3MBTL1KDM4E
SCHEMBL3405642 0.94 HTR2C (0.50) HTR2CMEN1KMT2AL3MBTL1KDM4E
SCHEMBL3402415 0.94 HTR2C (0.50) HTR2CMEN1KMT2AL3MBTL1KDM4E
SCHEMBL3400491 0.92 L3MBTL1 (0.50) HTR2CMEN1KMT2AL3MBTL1KDM4E
SCHEMBL3403297 0.92 L3MBTL1 (0.50) HTR2CMEN1KMT2AL3MBTL1KDM4E
SCHEMBL3402611 0.91 HTR2C (0.46) HTR2CALDH1A1LMNATHRATHRB
SCHEMBL3402711 0.90 ACKR3 (0.49) HTR2CMEN1KMT2AL3MBTL1KDM4E
SCHEMBL3403453 0.90 ACKR3 (0.49) HTR2CMEN1KMT2AL3MBTL1KDM4E
SCHEMBL3404356 0.89 HTR2C (0.61) HTR2CMEN1KMT2AL3MBTL1KDM4E

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