SCHEMBL21939982

SCHEMBL21939982

CCn1c2ccc(Sc3ccccc3)cc2c2cc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccc(OC)cc5)c5ccc6c(c5)c5cc(Sc7ccccc7)ccc5n6CC)ccc3-4)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 4/20 0.36
PTGER4 P35408 1/20 0.35
KDM4E B2RXH2 8/20 0.35
MAPT P10636 7/20 0.35
NPSR1 Q6W5P4 5/20 0.34
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 4/20 0.34
AKR1B1 P15121 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 2/20 0.34
GRIK1 P39086 2/20 0.33
KMT2A Q03164 4/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 3/20 0.33
MAPK1 P28482 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
SCHEMBL24022102 0.97 GRIK2 (0.38) GRIK2PTGER4KDM4EMAPTNPSR1
SCHEMBL21939983 0.92 MAPT (0.33) KDM4EMAPTALDH1A1HPGDPOLB
SCHEMBL21940553 0.92 GRIK2 (0.34) GRIK2PTGER4KDM4EMAPTNPSR1
SCHEMBL24022136 0.92 GRIK2 (0.34) GRIK2PTGER4KDM4EMAPTNPSR1
SCHEMBL21939989 0.91 HTR2C (0.34) GRIK2KDM4EMAPTNPSR1ALDH1A1
SCHEMBL24022269 0.91 PTGER4 (0.36) GRIK2PTGER4KDM4EMAPTNPSR1
SCHEMBL24022287 0.90 GRIK2 (0.33) GRIK2PTGER4KDM4EMAPTNPSR1
SCHEMBL21939867 0.89 PTGER4 (0.45) GRIK2PTGER4KDM4EMAPTNPSR1
SCHEMBL24022100 0.89 KDM4E (0.35) KDM4EMAPTNPSR1ALDH1A1HPGD
SCHEMBL24022286 0.88 MAPT (0.45) GRIK2PTGER4KDM4EMAPTNPSR1

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