SCHEMBL24749431

SCHEMBL24749431

c1ccc(-c2ccc(-c3ccc(N(c4cc(-c5cc6ccccc6c6ccccc56)ccc4-c4ccccc4)c4cccc5sc6ccccc6c45)cc3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MPI P34949 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR84 Q9NQS5 2/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL24749408 0.97 CYP11B1 (0.33) CYP11B1ALDH1A1HPGDKDM4EMEN1
SCHEMBL24750048 0.96 HSD17B1 (0.31) CYP11B1
SCHEMBL24750054 0.96 F9 (0.34) CYP11B1ALDH1A1HPGDKDM4EMEN1
SCHEMBL24749429 0.95 HSD17B1 (0.32)
SCHEMBL24750052 0.95 S1PR5 (0.33) GPR84
SCHEMBL24749465 0.95 PIM3 (0.31)
SCHEMBL24750053 0.95 F9 (0.34) CYP11B1ALDH1A1HPGDKDM4EMEN1
SCHEMBL24747681 0.95 F9 (0.34) CYP11B1ALDH1A1HPGDKDM4EMEN1
SCHEMBL24750047 0.94 S1PR5 (0.33) GPR84
SCHEMBL24748514 0.93 CYP11B1 (0.35) CYP11B1ALDH1A1HPGDKDM4EMEN1

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
WO-2022259886-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2022-12-15 WO disclosed