SCHEMBL21984544

SCHEMBL21984544

CCn1c2c(c3ccc(N(c4ccccc4)c4ccc5c(c4)C4(c6cc(N(c7ccccc7)c7ccc8c9ccccc9n(CC)c8c7)ccc6-5)c5ccsc5-c5sccc54)cc31)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
RAB9A P51151 4/20 0.42
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR6 P50406 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL21984582 0.90 KDM4E (0.46) KDM4ERAB9ACA1CA2MEN1
SCHEMBL21940562 0.90 KDM1A (0.36) KDM4EMEN1KMT2ACASP1HSD17B10
SCHEMBL21984583 0.86 KDM4E (0.42) KDM4ERAB9ACA1CA2MEN1
SCHEMBL24022112 0.82
SCHEMBL21940561 0.82 KDM4E (0.38) KDM4ERAB9AMEN1KMT2AGLA
SCHEMBL21939891 0.82 MAPT (0.32) KDM4EMEN1KMT2ACASP1HSD17B10
SCHEMBL21940566 0.82
SCHEMBL21940545 0.82 METAP2 (0.33)
SCHEMBL21940170 0.81 KDM1A (0.42) KDM4EMEN1KMT2ACASP1HSD17B10
SCHEMBL21939884 0.80 MAOA (0.33)

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
EP-3648187-B1 PEROVSKITE SOLAR CELL KOREA RES INST CHEMICAL TECH (KR) 2023-08-30 EP disclosed
EP-3648187-A1 PEROVSKITE SOLAR CELL Korea Research Institute of Chemical Technology (KR) 2020-05-06 EP disclosed