SCHEMBL24314948

SCHEMBL24314948

C1=CC(c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4oc5ccccc5c34)n2)=CCC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.32
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL24971652 0.91 MAPT (0.31) KDM4EMAPT
SCHEMBL25651689 0.91 TSHR (0.32) KDM4EMAPT
SCHEMBL25640483 0.89 CYP11B1 (0.31) CYP11B1KDM4EMAPTSMN1; SMN2
SCHEMBL24972796 0.88 BACE1 (0.33) CYP11B1
SCHEMBL24972299 0.88
SCHEMBL26037500 0.88 KDM4E (0.31) KDM4EMAPT
SCHEMBL23517652 0.87 CYP11B1 (0.40) CYP11B1KDM4ENPC1MAPTRAB9A
SCHEMBL24886614 0.87 HSD17B1 (0.31) CYP11B1
SCHEMBL24972754 0.87 KDM4E (0.33) KDM4ESMN1; SMN2
SCHEMBL24314947 0.87 CYP11B1 (0.31) CYP11B1KDM4EMAPTSMN1; 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
EP-3972001-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2022-03-23 EP disclosed