SCHEMBL8474128

SCHEMBL8474128

O=C1CN(c2ccncc2)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.43
DDB1 Q16531 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.41
BCHE P06276 1/20 0.41
AR P10275 1/20 0.41
USP2 O75604 1/20 0.40
ADRB2 P07550 1/20 0.38
NCF1 P14598 1/20 0.38
PLD1 Q13393 1/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
CHKA P35790 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
DRD2 P14416 1/20 0.37
EP300 Q09472 1/20 0.36

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
SCHEMBL746783 0.79 CRBN (0.66) CRBNDDB1KDM4EGAAMAPT
Hydrochloric Acid SCHEMBL31439105 0.78 CRBN (0.63) CRBNDDB1KDM4EGAAMAPT
SCHEMBL27560841 0.78 CRBN (0.63) CRBNDDB1KDM4EGAAMAPT
SCHEMBL11849406 0.78 CRBN (0.63) CRBNDDB1KDM4EGAAMAPT
SCHEMBL8104104 0.78 CRBN (0.67) CRBNDDB1KDM4EGAAMAPT
SCHEMBL10813665 0.76 MEN1 (0.53) CRBNDDB1KDM4EGAAMAPT
SCHEMBL6245696 0.76 CRBN (0.46) CRBNDDB1KDM4EGAAMAPT
SCHEMBL4539723 0.76 CRBN (0.46) CRBNDDB1KDM4EGAAMAPT
SCHEMBL1421342 0.76 DDB1 (0.46) CRBNDDB1KDM4EGAAMAPT
SCHEMBL10192194 0.76 MAPT (0.53) CRBNDDB1KDM4EGAAMAPT

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
US-6004963-A TUMOR NECROSIS FACTOR RELEASE INHIBITORS; IMMUNOMODULATORS GRUENENTHAL GMBH (DE) 1999-12-21 US disclosed