SCHEMBL21940559

SCHEMBL21940559

CCn1c2ccccc2c2cc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5cc(N(c6ccc(OC)cc6)c6ccc7c(c6)c6ccccc6n7CC)ccc5-4)c4ccsc4-c4sccc43)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 7/20 0.40
HPGD P15428 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 3/20 0.38
HCRTR1 O43613 2/20 0.38
LMNA P02545 2/20 0.38
TSPO P30536 2/20 0.38
PAX8 Q06710 1/20 0.38
GRIK2 Q13002 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 3/20 0.37

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
SCHEMBL21940561 0.94 KDM4E (0.38) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21940558 0.93 PTGER4 (0.42) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24022282 0.91 TSPO (0.40) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21939618 0.91 GRIK2 (0.36) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21939873 0.91 GRIK2 (0.35) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24022287 0.90 GRIK2 (0.33) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21940567 0.89 PTGER4 (0.34) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24022286 0.88 MAPT (0.45) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21939892 0.88 KDM4E (0.35) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL21939886 0.87 MAPT (0.37) MAPTKDM4EALDH1A1HPGDSMN1; SMN2

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