SCHEMBL9828697

SCHEMBL9828697

c1ccc(CNc2cccc3[nH]cnc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.56
DRD3 P35462 3/20 0.56
DRD2 P14416 2/20 0.56
BACE1 P56817 1/20 0.46
HSD17B10 Q99714 2/20 0.45
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CDK2 P24941 1/20 0.44
MAPK1 P28482 1/20 0.44
PARP1 P09874 1/20 0.43
CDK1 P06493 2/20 0.43
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42

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
SCHEMBL4400404 0.80 UTS2R (0.55) DRD4DRD3DRD2TSHRLMNA
SCHEMBL17009466 0.77 SMN1; SMN2 (0.49) HSD17B10TSHRLMNACYP1A2MAPK1
SCHEMBL6071771 0.76 PARP1 (0.50) DRD4DRD3DRD2LMNAPARP1
SCHEMBL3667498 0.76 CDK2 (0.46) DRD4DRD3DRD2HSD17B10TSHR
SCHEMBL9828708 0.75 TSHR (0.51) BACE1HSD17B10TSHRLMNACYP1A2
Hydrochloric Acid SCHEMBL6071470 0.75 PARP1 (0.49) DRD4DRD3DRD2LMNAPARP1
SCHEMBL29907227 0.74 KDM4E (0.42) DRD4DRD3DRD2HSD17B10TSHR
SCHEMBL27140578 0.74 KDM4E (0.42) DRD4DRD3DRD2HSD17B10TSHR
SCHEMBL21137030 0.73 PARP1 (0.46) DRD4DRD3DRD2PARP1SMN1; SMN2
SCHEMBL7610690 0.73 DRD2 (0.56) DRD4DRD3DRD2HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1018233-B METHOD FOR PLANT REGENERATION OF GINSENG TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1992-09-16 CN disclosed
EP-0279433-B1 PLANTS RESISTANT TO CUCUMBER MOSAIC VIRUS INFECTION Takeda Chemical Industries, Ltd. (JP) 1991-10-23 EP disclosed
CN-1039343-A Method for regenerating ginseng plant TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1990-02-07 CN disclosed
EP-0279433-A2 Plants resistant to cucumber mosaic virus infection Takeda Chemical Industries, Ltd. (JP) 1988-08-24 EP disclosed
CN-86106832-A Method for regenerating ginseng plant 1987-03-11 CN disclosed