SCHEMBL9621879

SCHEMBL9621879

CON=C(N)Nc1nc(C)cc(OC)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.46
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL10651293 1.00 ADORA2A (0.46) ADORA2ACYP1A2ALDH1A1HTTTSHR
SCHEMBL10646036 0.91 CYP1A2 (0.54) ADORA2ACYP1A2ALDH1A1HTTTSHR
SCHEMBL9621914 0.91 CYP1A2 (0.54) ADORA2ACYP1A2ALDH1A1HTTTSHR
SCHEMBL4099828 0.89 ADORA2A (0.51) ADORA2ACYP1A2ALDH1A1HTTLMNA
SCHEMBL4099830 0.89 ADORA2A (0.51) ADORA2ACYP1A2ALDH1A1HTTLMNA
SCHEMBL10866514 0.86 ALDH1A1 (0.46) ADORA2ACYP1A2ALDH1A1HTTTSHR
SCHEMBL10866512 0.86 ALDH1A1 (0.46) ADORA2ACYP1A2ALDH1A1HTTTSHR
SCHEMBL10415643 0.80 MAPT (0.49) ADORA2ACYP1A2ALDH1A1HTTTSHR
SCHEMBL10616011 0.80 CYP1A2 (0.57) CYP1A2ALDH1A1HTTTSHRLMNA
SCHEMBL10926832 0.79 TAAR1 (0.44) ADORA2ATSHRLMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0173322-B1 1-(2-OXYAMINOSULFONYLPHENYL-SULFONYL)-3-HETEROARYL UREAS BAYER AG (DE) 1988-12-28 EP claimed
EP-0470430-A1 Process for the preparation of oxyguanidins BAYER AG (DE) 1992-02-12 EP disclosed
US-4797484-A REACTING GUANIDINE DERIVATIVE WITH SULPHONYL HALIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-01-10 US disclosed
US-4645528-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1987-02-24 US disclosed
EP-0203220-A1 Benzolactamsultams BAYER AG (DE) 1986-12-03 EP disclosed
US-4619688-A Herbicidal sulfonylguanidine derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-10-28 US disclosed
EP-0148498-A1 Sulfonylguanidine derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-07-17 EP disclosed