SCHEMBL24022286

SCHEMBL24022286

CCn1c2ccccc2c2cc(N(c3ccc(OC)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccc(OC)cc5)c5ccc6c(c5)c5ccccc5n6CC)ccc3-4)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 7/20 0.43
HPGD P15428 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 3/20 0.41
HCRTR1 O43613 2/20 0.41
LMNA P02545 2/20 0.41
PAX8 Q06710 1/20 0.41
TSPO P30536 1/20 0.41
GRIK2 Q13002 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 3/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL21939867 0.95 PTGER4 (0.45) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21939622 0.94 GRIK2 (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21940002 0.92 GRIK2 (0.39) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21940168 0.91 MAPT (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21939861 0.91 MAPT (0.41) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL21940560 0.90 GRIK2 (0.44) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL13634124 0.90 MAPT (0.45) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24022272 0.90 GRIK2 (0.40) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24022109 0.90 TSPO (0.43) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24022269 0.90 PTGER4 (0.36) 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 1 patent. 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