SCHEMBL9602817

SCHEMBL9602817

NC1=CNC=NC1(N)Cc1ccco1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
MGMT P16455 1/20 0.32
PNP P00491 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9602820 0.68 MGMT (0.34) TSHRGAAKDM4EMEN1MAPT
SCHEMBL752582 0.63
SCHEMBL13280659 0.60 TSHR (0.41) TSHRGAAKDM4EMEN1MAPT
SCHEMBL18423956 0.57
SCHEMBL43101 0.57
SCHEMBL17033080 0.56 ALDH1A1 (0.40) TSHRGAAKDM4EMEN1MAPT
SCHEMBL1404275 0.56 CHRM2 (0.46) TSHRGAAKDM4EMEN1MAPT
SCHEMBL8146532 0.56 ALDH1A1 (0.54) TSHRGAAKDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL2389399 0.55
Ammonia Solution, Strong SCHEMBL28482817 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0206415-B1 (4-PIPERIDINYLMETHYL AND -HETERO)PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-27 EP disclosed