SCHEMBL22650728

SCHEMBL22650728

c1ccc(-n2c3sc4[nH]c5ccc6ccccc6c5c4c3c3ccc4ccccc4c32)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.33
CCND1 P24385 4/20 0.33
HSD17B10 Q99714 2/20 0.32
RAB9A P51151 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
HIF1A Q16665 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE7A Q13946 2/20 0.31
PDE7B Q9NP56 2/20 0.31
KIF11 P52732 1/20 0.31
KDM4E B2RXH2 2/20 0.30
PRNP P04156 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL22650898 0.89 KIF11 (0.38) CDK4CCND1HSD17B10CYP3A4HPGD
SCHEMBL22650711 0.85 CHEK1 (0.30) CDK4CCND1PDE7APDE7BKIF11
SCHEMBL22650653 0.76 L3MBTL1 (0.44) HSD17B10RAB9ACYP3A4HPGDTSHR
SCHEMBL19573583 0.74 CDK4 (0.43) CDK4CCND1HSD17B10ATML3MBTL1
SCHEMBL21676043 0.72 GABRP (0.47) CDK4CCND1HSD17B10PDE7APDE7B
SCHEMBL18588720 0.71 KDM4E (0.46) CDK4CCND1HSD17B10RAB9AATM
SCHEMBL22650650 0.71 L3MBTL1 (0.39) HSD17B10ATML3MBTL1KDM4EPRNP
SCHEMBL21432063 0.71 GABRP (0.40) CDK4CCND1RAB9AKIF11KDM4E
SCHEMBL12969634 0.70 L3MBTL1 (0.42) HSD17B10RAB9ACYP3A4HPGDTSHR
SCHEMBL22650655 0.70 KDM4E (0.38) HSD17B10RAB9AHPGDTSHRATM

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-2020226295-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-11-12 WO disclosed