SCHEMBL3401271

SCHEMBL3401271

COc1ccc(-c2nc(C)c(C(=O)N3CCN(C4CCCCCC4)CC3)s2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
KMT2A Q03164 2/20 0.47
HTR2C P28335 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL3401305 0.99 KMT2A (0.48) PKMKMT2AHTR2CALDH1A1HPGD
SCHEMBL3405369 0.92 HTR2C (0.49) KMT2AHTR2CLMNA
SCHEMBL3400938 0.92 HTR2C (0.49) KMT2AHTR2CLMNA
SCHEMBL3402627 0.89 RAB9A (0.50) PKMKMT2AHTR2CALDH1A1HPGD
SCHEMBL3401632 0.86 HTR2C (0.46) KMT2AHTR2CALDH1A1HPGDSMN1; SMN2
SCHEMBL3400495 0.86 HTR2C (0.46) KMT2AHTR2CALDH1A1HPGDSMN1; SMN2
SCHEMBL3400922 0.85 PKM (0.47) PKMKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL3405508 0.85 HRH3 (0.55) PKMKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL3399351 0.85 HTR2C (0.49) PKMKMT2AHTR2CALDH1A1HPGD
SCHEMBL3404388 0.84 HRH3 (0.54) PKMKMT2AALDH1A1HPGDSMN1; SMN2

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