SCHEMBL9828708

SCHEMBL9828708

c1ccc(CNc2cccc3nc[nH]c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CDK2 P24941 1/20 0.51
CDK1 P06493 2/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
IP6K1 Q92551 1/20 0.47
BACE1 P56817 1/20 0.46
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GALR3 O60755 2/20 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
SCHEMBL9828697 0.75 DRD4 (0.56) TSHRLMNAMAPK1CYP1A2CYP2D6
SCHEMBL7610701 0.73 SMN1; SMN2 (0.47) LMNABACE1HSD17B10POLBRAD52
SCHEMBL5948731 0.71 NR3C1 (0.47) TSHRBACE1HSD17B10KMT2ASMN1; SMN2
SCHEMBL30464743 0.71 HSD17B10 (0.71) TSHRBACE1HSD17B10POLBKMT2A
SCHEMBL4571036 0.71 HSD17B10 (0.71) TSHRBACE1HSD17B10POLBKMT2A
SCHEMBL9529350 0.70 MAPT (0.50) TSHRLMNAMAPK1CYP1A2CYP2D6
SCHEMBL28423293 0.69 RAD52 (0.54) TSHRLMNABACE1HSD17B10POLB
SCHEMBL1019383 0.69 IP6K1 (0.47) TSHRLMNAMAPK1CYP1A2CYP2D6
SCHEMBL22448313 0.69 MAP4K4 (0.52) TSHRLMNAMAPK1CYP1A2CYP2D6
SCHEMBL11888514 0.69 HDAC6 (0.66) TSHRLMNAMAPK1CDK2BACE1

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