SCHEMBL21940002

SCHEMBL21940002

CCn1c2ccc(C)cc2c2cc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccc(OC)cc5)c5ccc6c(c5)c5cc(C)ccc5n6CC)ccc3-4)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 4/20 0.39
GRIK1 P39086 2/20 0.38
PTGER4 P35408 1/20 0.38
KDM4E B2RXH2 5/20 0.37
MAPT P10636 5/20 0.37
AKR1B1 P15121 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MARK4 Q96L34 1/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 4/20 0.34
HCRTR1 O43613 2/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL21940542 0.95 GRIK2 (0.41) GRIK2GRIK1PTGER4KDM4EMAPT
SCHEMBL21939867 0.93 PTGER4 (0.45) GRIK2GRIK1PTGER4KDM4EMAPT
SCHEMBL24022286 0.92 MAPT (0.45) GRIK2PTGER4KDM4EMAPTALDH1A1
SCHEMBL21939954 0.92 GRIK2 (0.36) GRIK2GRIK1PTGER4KDM4EMAPT
SCHEMBL24022150 0.92 GRIK2 (0.36) GRIK2GRIK1PTGER4KDM4EMAPT
SCHEMBL21940003 0.91 RORC (0.36) KDM4EMAPTAKR1B1PTGDR2ALDH1A1
SCHEMBL24022126 0.90 DYRK1A (0.36) GRIK2GRIK1KDM4EMAPTALDH1A1
SCHEMBL24022272 0.88 GRIK2 (0.40) GRIK2GRIK1PTGER4KDM4EMAPT
SCHEMBL24022269 0.88 PTGER4 (0.36) GRIK2GRIK1PTGER4KDM4EMAPT
SCHEMBL24022109 0.88 TSPO (0.43) GRIK2GRIK1PTGER4KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11177403-B2 Perovskite solar cell KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-11-16 US disclosed
US-20200119206-A1 PEROVSKITE SOLAR CELL KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-04-16 US disclosed