SCHEMBL22969892

SCHEMBL22969892

CC(C)(C)c1ccc(C(C#N)=C2C(=C(C#N)c3ccc(C(C)(C)C)cc3)C2=C(C#N)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
KIF11 P52732 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
MAPK1 P28482 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
LMNA P02545 1/20 0.43
TYR P14679 1/20 0.43
SRD5A2 P31213 1/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
EPHX2 P34913 1/20 0.41
TSHR P16473 1/20 0.39
HTT P42858 2/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL19114771 0.79 CES2 (0.48) KIF11MEN1KMT2ASRD5A2ALDH1A1
SCHEMBL25899702 0.76 CYP1A1 (0.45) KIF11MEN1KMT2AMAPTLMNA
SCHEMBL22969336 0.76 ALDH1A1 (0.42) HDAC1MEN1KMT2AMAPTLMNA
SCHEMBL10891997 0.75 HDAC1 (0.53) HDAC1KIF11MEN1KMT2AMAPT
SCHEMBL20304721 0.73 RARB (0.46) HDAC1KIF11MEN1KMT2AMAPT
SCHEMBL20304534 0.73 POLB (0.46) HDAC1KIF11MEN1KMT2AMAPT
SCHEMBL22354992 0.71 CA2 (0.50) MAPTLMNAALDH1A1TSHR
SCHEMBL29483463 0.71 MAPT (0.42) HDAC1KIF11MEN1KMT2AMAPT
SCHEMBL21125962 0.70 CHRNB2 (0.46) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL29046829 0.69 HDAC1 (0.39) HDAC1KIF11MEN1KMT2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11778894-B2 Boron-containing organic light-emitting diode device and preparation method thereof JIANGSU SUNERA TECHNOLOGY CO., LTD. (CN) 2023-10-03 US disclosed
US-11778894-B2 Boron-containing organic light-emitting diode device and preparation method thereof JIANGSU SUNERA TECHNOLOGY CO., LTD. (CN) 2023-10-03 US disclosed
US-20210043841-A1 BORON-CONTAINING ORGANIC LIGHT-EMITTING DIODE DEVICE AND PREPARATION METHOD THEREOF VALIANT CO., LTD. (CN) 2021-02-11 US disclosed