SCHEMBL9602820

SCHEMBL9602820

NC1=CN=CNC1(N)Cc1ccco1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGMT P16455 1/20 0.34
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PNP P00491 2/20 0.31
TSHR P16473 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.30

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
SCHEMBL9601289 0.73 TAAR1 (0.35) MGMTPNPTSHR
SCHEMBL13280659 0.60 TSHR (0.41) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL2463738 0.57 MAPT (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL43101 0.57
SCHEMBL17033080 0.56 ALDH1A1 (0.40) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL8146532 0.56 ALDH1A1 (0.54) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL1404275 0.56 CHRM2 (0.46) GAAKDM4EMEN1ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL28482817 0.55
Hydrochloric Acid SCHEMBL2389399 0.55
Furfuryl Alcohol SCHEMBL1308222 0.55 ADORA2A (0.43) GAAKDM4EMEN1ALDH1A1MAPT

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