SCHEMBL31330241

SCHEMBL31330241

CC/C=C/CCn1nc[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
FFAR1 O14842 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CYP19A1 P11511 1/20 0.30
RXRA P19793 1/20 0.30
PPARG P37231 1/20 0.30
OXER1 Q8TDS5 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
SCHEMBL31330313 1.00 ADORA2A (0.33) ADORA2AADORA2BADORA1GPR84CDK1
SCHEMBL5486374 0.74 ADORA2B (0.42) ADORA2AADORA2BALDH1A1
SCHEMBL31330327 0.70 ADORA2A (0.33) ADORA2AADORA2BADORA1GPR84
SCHEMBL31330324 0.68 ADORA2A (0.33) ADORA2AADORA2BADORA1
SCHEMBL31330320 0.64 ADORA3 (0.32) ADORA2BGPR84
SCHEMBL31330275 0.64 ADORA2A (0.31) ADORA2AADORA2BADORA1
SCHEMBL31330242 0.60 ADORA2A (0.31) ADORA2AADORA2BADORA1
SCHEMBL21457937 0.59 GLS (0.50)
SCHEMBL21457938 0.59 GLS (0.50)
SCHEMBL8916963 0.56 NFE2L2 (0.33)

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
WO-2024249959-A1 COMPOSITIONS REDUCING THE EXPRESSION OR ACTIVITY OF C1 GALT1 FOR TREATING EWING SARCOMA UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2024-12-05 WO disclosed