SCHEMBL21940543

SCHEMBL21940543

C=C/C=C\c1cc2cc(-c3ccccc3)ccc2n1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK2 Q13002 2/20 0.47
▸ GRIK1 P39086 1/20 0.47
▸ NLRP3 Q96P20 1/20 0.37
▸ LDHA P00338 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ TSPO P30536 1/20 0.33

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
SCHEMBL23839242 0.69 GRIK1 (0.38) GRIK2GRIK1KDM4EALDH1A1USP2
SCHEMBL20853323 0.67 CA12 (0.39) GRIK2GRIK1KDM4EALDH1A1USP2
SCHEMBL3362461 0.67 TSPO (0.55) GRIK2NLRP3KDM4EALDH1A1TSHR
SCHEMBL24668043 0.64 TSPO (0.52) GRIK2NLRP3KDM4EALDH1A1TSHR
SCHEMBL20937926 0.64 KDM4E (0.40) GRIK2GRIK1CCR2KDM4EALDH1A1
SCHEMBL8642549 0.64 GRIK2 (1.00) GRIK2GRIK1KDM4EALDH1A1NPSR1
SCHEMBL21076076 0.64 METAP2 (0.48) NLRP3KDM4EALDH1A1MAPK1HTT
SCHEMBL24667559 0.63 KDM4E (0.63) KDM4EALDH1A1MAPK1HTTNPSR1
SCHEMBL24703487 0.63 GRIN2D (0.47) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL4726399 0.63 KDM4E (0.63) KDM4EALDH1A1MAPK1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200119206-A1 PEROVSKITE SOLAR CELL KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-04-16 — — US disclosed
Send feedback