SCHEMBL9686469

SCHEMBL9686469

Cc1nc(CN2C(=O)COc3cc(N)ccc32)no1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 3/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC4 P56524 1/20 0.41
BRD4 O60885 1/20 0.39
GRM5 P41594 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SLC5A1 P13866 2/20 0.37
SLC5A2 P31639 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
TSHR P16473 2/20 0.36
F10 P00742 2/20 0.36
HTT P42858 1/20 0.36
CHRM1 P11229 1/20 0.34

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
SCHEMBL9685814 0.83 TERT (0.44) NMT1HDAC1HDAC6HDAC4BRD4
SCHEMBL9686626 0.76 HDAC4 (0.41) HDAC1HDAC6HDAC4BRD4GRM5
SCHEMBL8127407 0.76 ATAD2 (0.56) BRD4L3MBTL1SLC5A1SLC5A2TSHR
Hydrochloric Acid SCHEMBL20703948 0.75 ATAD2 (0.55) BRD4GAAL3MBTL1SLC5A1SLC5A2
SCHEMBL30806610 0.74 PIK3CG (0.52) BRD4L3MBTL1TSHRF10HTT
SCHEMBL27378235 0.74 PIK3CG (0.52) BRD4L3MBTL1TSHRF10HTT
SCHEMBL29978712 0.74 BRD4 (0.57) BRD4L3MBTL1TSHR
SCHEMBL758149 0.74 BRD4 (0.57) BRD4L3MBTL1TSHR
SCHEMBL18226834 0.74 CHRM1 (0.42) BRD4TSHRHTTCHRM1
SCHEMBL16522709 0.74 CHRM1 (0.47) BRD4TSHRHTTCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296416-B1 BENZO-ANELLATED CYCLIC COMPOUNDS NIHON BAYER AGROCHEM K.K. (JP) 1992-07-29 EP disclosed
US-5077401-A Herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-12-31 US disclosed
US-4902335-A Benzo-fused cyclic compounds NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1990-02-20 US disclosed
EP-0296416-A1 Benzo-anellated cyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1988-12-28 EP disclosed