SCHEMBL21940558

SCHEMBL21940558

CCn1c2ccc(OC)cc2c2cc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5cc(N(c6ccc(OC)cc6)c6ccc7c(c6)c6cc(OC)ccc6n7CC)ccc5-4)c4ccsc4-c4sccc43)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.42
GRIK2 Q13002 4/20 0.39
GRIK1 P39086 2/20 0.39
KDM4E B2RXH2 5/20 0.36
NPSR1 Q6W5P4 4/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 6/20 0.33
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAOA P21397 2/20 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
SCHEMBL21940559 0.93 MAPT (0.41) PTGER4GRIK2KDM4ENPSR1POLB
SCHEMBL21939873 0.93 GRIK2 (0.35) PTGER4GRIK2GRIK1KDM4ENPSR1
SCHEMBL21939618 0.92 GRIK2 (0.36) PTGER4GRIK2GRIK1KDM4ENPSR1
SCHEMBL21940567 0.92 PTGER4 (0.34) PTGER4GRIK2GRIK1KDM4ENPSR1
SCHEMBL24022282 0.90 TSPO (0.40) PTGER4GRIK2GRIK1KDM4ENPSR1
SCHEMBL24022287 0.89 GRIK2 (0.33) PTGER4GRIK2GRIK1KDM4ENPSR1
SCHEMBL21940561 0.88 KDM4E (0.38) GRIK2KDM4ENPSR1POLBRAB9A
SCHEMBL21939616 0.87 GRIK2 (0.32) PTGER4GRIK2KDM4EMAPTHPGD
SCHEMBL21939867 0.86 PTGER4 (0.45) PTGER4GRIK2GRIK1KDM4ENPSR1
SCHEMBL21940557 0.86 DYRK1A (0.36) PTGER4GRIK2GRIK1KDM4ENPSR1

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