SCHEMBL30136366

SCHEMBL30136366

O=C(Nc1ccc(Cl)cc1)Nc1ccc2nc(NC(=O)Nc3ccc(Cl)cc3)sc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.74
RECQL P46063 1/20 0.74
EPHX2 P34913 1/20 0.74
HSD17B10 Q99714 9/20 0.67
DYRK1A Q13627 3/20 0.62
DYRK1B Q9Y463 2/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HPGD P15428 1/20 0.61
FSCN1 Q16658 1/20 0.60
CXCR2 P25025 1/20 0.60
POLB P06746 2/20 0.60
MAPT P10636 2/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
ATM Q13315 1/20 0.60
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.58

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
SCHEMBL24104691 1.00 KDM4E (0.74) KDM4ERECQLEPHX2HSD17B10DYRK1A
SCHEMBL350341 0.89 HSD17B10 (0.76) KDM4ERECQLEPHX2HSD17B10DYRK1A
SCHEMBL4921069 0.87 MEN1 (0.68) KDM4ERECQLEPHX2HSD17B10DYRK1A
SCHEMBL4918017 0.86 RAB9A (0.79) KDM4ERECQLHSD17B10DYRK1AMEN1
SCHEMBL18851598 0.86 KDM4E (0.63) KDM4ERECQLEPHX2HSD17B10DYRK1A
SCHEMBL540965 0.86 MAPT (0.79) KDM4ERECQLEPHX2DYRK1ADYRK1B
SCHEMBL30263006 0.86 KDM4E (0.61) KDM4ERECQLEPHX2HSD17B10DYRK1A
SCHEMBL26034880 0.85 CXCR2 (0.83) KDM4ERECQLDYRK1AMEN1KMT2A
SCHEMBL4919955 0.85 KDM4E (1.00) KDM4ERECQLHSD17B10MEN1KMT2A
SCHEMBL24104685 0.85 EPHX2 (1.00) KDM4ERECQLEPHX2HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515944-A Benzothiazole derivative and application thereof 沈阳药科大学 2022-12-23 CN claimed
CN-113831301-B Benzothiazole derivative and application thereof 沈阳药科大学 2023-06-06 CN disclosed