SCHEMBL16307253

SCHEMBL16307253

CCCCCCCCCCC(CCCCCCCC)CN1C(=O)c2cscc2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
MGLL Q99685 2/20 0.35
FAAH O00519 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CES1 P23141 2/20 0.34
CDC25A P30304 1/20 0.34
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ALDH2 P05091 1/20 0.32
ALDH3A1 P30838 1/20 0.32
OPRL1 P41146 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL14881200 1.00 LMNA (0.35) LMNAPTGS1PTGS2MGLLFAAH
SCHEMBL2011192 0.88 ALDH1A1 (0.44) LMNAALDH1A1KDM4ETHRBHPGD
SCHEMBL18517066 0.86 ACE2 (0.36) LMNAPTGS1PTGS2MGLLFAAH
SCHEMBL17412780 0.86 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL30054258 0.84 TERT (0.42) LMNAPTGS1PTGS2MGLLFAAH
SCHEMBL18256567 0.83 CES1 (0.48) ALDH1A1KMT2ACES1CDC25AALDH2
SCHEMBL26722458 0.83 CES1 (0.48) ALDH1A1KMT2ACES1CDC25AALDH2
SCHEMBL16307244 0.83 CES1 (0.48) ALDH1A1KMT2ACES1CDC25AALDH2
SCHEMBL18248457 0.83 CES1 (0.48) ALDH1A1KMT2ACES1CDC25AALDH2
SCHEMBL30621345 0.81 LMNA (0.35) LMNAPTGS1PTGS2MGLLFAAH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929878-A Copolymer of EDOT and (hetero) arene and application thereof 成都信息工程大学 2022-01-14 CN claimed
CN-113817141-A Copolymer of EDOT and (hetero) arene and preparation method thereof 成都信息工程大学 2021-12-21 CN claimed
CN-118085240-A Supported palladium catalyst and preparation method and application thereof 天津理工大学 2024-05-28 CN disclosed
US-20170044309-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2017-02-16 US disclosed
US-9505876-B2 Preparation of high molecular weight polymers by direct arylation and heteroarylation UNIVERSITE LAVAL (CA) 2016-11-29 US disclosed
US-20140371409-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2014-12-18 US disclosed