SCHEMBL21939628

SCHEMBL21939628

CCn1c2ccccc2c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5Sc5ccccc53)c3cc(N(c5ccccc5)c5ccc6c7ccccc7n(CC)c6c5)ccc3-4)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
MAPT P10636 5/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HBB P68871 1/20 0.36
LMNA P02545 3/20 0.33
NPY5R Q15761 5/20 0.32
CASP1 P29466 1/20 0.32
POLB P06746 3/20 0.32
PKM P14618 1/20 0.32
DRD3 P35462 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCHR2 Q969V1 1/20 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
SCHEMBL21984811 0.94 MAPT (0.41) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL21940556 0.92 NLRP3 (0.30)
SCHEMBL21940170 0.91 KDM1A (0.42) KDM1AMAPTKDM4EALDH1A1MEN1
SCHEMBL21939862 0.91 KDM4E (0.38) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL24022285 0.90 KDM1A (0.40) KDM1AMAPTKDM4EALDH1A1MEN1
SCHEMBL21940004 0.89 DYRK1A (0.39) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL21939885 0.86 MAPT (0.38) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL21940552 0.86 ACHE (0.33) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL21939861 0.85 MAPT (0.41) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL21940562 0.84 KDM1A (0.36) KDM1AMAPTKDM4EALDH1A1MEN1

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