SCHEMBL3454554

SCHEMBL3454554

CC(C)Cc1ccc(-c2csc(N(CCC(=O)O)Cc3cccs3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.46
GCGR P47871 7/20 0.45
GIPR P48546 7/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
Hydrochloric Acid SCHEMBL3452254 0.99 PPARD (0.45) PPARDGCGRGIPRMEN1KMT2A
SCHEMBL3452179 0.88 GCGR (0.44) PPARDGCGRGIPRMEN1KMT2A
SCHEMBL13109421 0.88 ALDH1A1 (0.52) PPARDMEN1KMT2AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL3452662 0.87 ALDH1A1 (0.51) PPARDMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3452661 0.87 TSHR (0.52) PPARDGCGRGIPRMEN1KMT2A
SCHEMBL13109459 0.86 PPARD (0.48) PPARDGCGRGIPRMEN1KMT2A
Hydrochloric Acid SCHEMBL3452232 0.85 PPARD (0.47) PPARDGCGRGIPRMEN1KMT2A
SCHEMBL13109431 0.85 LMNA (0.55) PPARDGCGRGIPRMEN1KMT2A
SCHEMBL13109432 0.85 GCGR (0.51) PPARDGCGRGIPRMEN1KMT2A
SCHEMBL13109456 0.84 GCGR (0.54) GCGRGIPRMEN1KMT2AALDH1A1

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-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US claimed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed