SCHEMBL22958778

SCHEMBL22958778

CC1(C)c2ccccc2-c2c(-c3cc4c5c(c3)Oc3ccccc3N5c3ccccc3O4)cccc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
P2RX4 Q99571 1/20 0.31
PDK2 Q15119 2/20 0.31

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
SCHEMBL22958750 0.95 MAPT (0.32) PGRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL22958686 0.94 PGR (0.32) PGRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20208639 0.93 PGR (0.34) PGRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL22958783 0.93 MAPT (0.33) PGRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL22958689 0.90 MAPT (0.32) PGRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL22958790 0.90 PGR (0.32) PGRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL22958691 0.90 PDE6D (0.30) MAPTSMN1; SMN2NPSR1
SCHEMBL22812374 0.87 PGR (0.34) PGRPDK2
SCHEMBL20208645 0.86 PGR (0.32) PGRPDK2
SCHEMBL22958796 0.86 KDM4E (0.30)

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-20210043852-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-11 US disclosed