SCHEMBL22164166

SCHEMBL22164166

COC(=O)C(C#N)=C(C)C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.33
MAPK10 P53779 3/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 4/20 0.30
MCL1 Q07820 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30
BTK Q06187 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL14565667 1.00 IDO1 (0.41) IDO1ALDH1A1L3MBTL1MAPK10HPGD
SCHEMBL2773358 0.83 IDO1 (0.42) IDO1ALDH1A1L3MBTL1MAPK10HPGD
SCHEMBL6719581 0.81 IDO1 (0.41) IDO1ALDH1A1L3MBTL1MAPK10HPGD
SCHEMBL6719577 0.81 IDO1 (0.41) IDO1ALDH1A1L3MBTL1MAPK10HPGD
SCHEMBL19071358 0.81 IDO1 (0.41) IDO1ALDH1A1L3MBTL1MAPK10TSHR
SCHEMBL11990634 0.78 IDO1 (0.42) IDO1ALDH1A1L3MBTL1TSHR
SCHEMBL24846023 0.76 IDO1 (0.38) IDO1ALDH1A1L3MBTL1MAPK10HPGD
SCHEMBL8956635 0.76 ALDH1A1 (0.50) IDO1ALDH1A1L3MBTL1TSHR
SCHEMBL20442156 0.76 IDO1 (0.38) IDO1ALDH1A1L3MBTL1MAPK10TSHR
SCHEMBL21230245 0.74 IDO1 (0.40) IDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022265042-A1 NUCLEATING AGENT COMPOSITION, RESIN COMPOSITION, MOLDED ARTICLE THEREOF, AND METHOD FOR MANUFACTURING RESIN COMPOSITION 株式会社ADEKA 2022-12-22 WO disclosed
WO-2021125184-A1 RESIN COMPOSITION, MOLDED ARTICLE THEREOF, AND METHOD FOR PRODUCING SAID RESIN COMPOSITION 株式会社ADEKA 2021-06-24 WO disclosed
WO-2020145398-A1 ADDITIVE COMPOSITION, THERMOPLASTIC RESIN COMPOSITION CONTAINING SAME, AND MOLDED ARTICLE OF SAID THERMOPLASTIC RESIN COMPOSITION 株式会社ADEKA 2020-07-16 WO disclosed
WO-2020137179-A1 NUCLEATING AGENT FOR POLYOLEFIN RESIN, NUCLEATING AGENT COMPOSITION FOR POLYOLEFIN RESIN CONTAINING SAME, MASTER BATCH FOR POLYOLEFIN RESIN, POLYOLEFIN RESIN COMPOSITION, MOLDED ARTICLE THEREOF, FILM THEREOF, METHOD FOR PRODUCING POROUS FILM, AND PACKAGE 株式会社ADEKA 2020-07-02 WO disclosed
WO-2020138205-A1 NUCLEATING AGENT FOR POLYOLEFIN-BASED RESIN, NUCLEATING AGENT COMPOSITION FOR POLYOLEFIN-BASED RESIN CONTAINING SAME, POLYOLEFIN-BASED RESIN COMPOSITION, AND MOLDED PRODUCT THEREOF 株式会社ADEKA 2020-07-02 WO disclosed