SCHEMBL6870384

SCHEMBL6870384

CCCCNC(=O)c1cc(N)n2nc(-c3cccs3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.58
CAMK2D Q13557 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.43
BACE1 P56817 1/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
FYN P06241 1/20 0.40
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6871700 0.85 SMN1; SMN2 (0.41) ADORA2ACAMK2DSMN1; SMN2BACE1ALDH1A1
SCHEMBL6866973 0.83 BACE1 (0.48) CAMK2DSMN1; SMN2BACE1HTTALDH1A1
SCHEMBL6871621 0.83 CAMK2D (0.40) ADORA2ACAMK2DSMN1; SMN2ALDH1A1LMNA
SCHEMBL6872431 0.82 HDAC3 (0.40) ADORA2ACAMK2DSMN1; SMN2ALDH1A1LMNA
SCHEMBL6867527 0.82 ADORA2A (0.38) ADORA2ACAMK2DSMN1; SMN2BACE1ALDH1A1
SCHEMBL6872186 0.81 SMN1; SMN2 (0.43) ADORA2ASMN1; SMN2BACE1HTTLMNA
SCHEMBL6872088 0.80 MYC (0.56) ADORA2ASMN1; SMN2HTTALDH1A1LMNA
SCHEMBL6869989 0.80 ADORA2A (0.58) ADORA2ACAMK2DSMN1; SMN2HTTEGLN2
SCHEMBL6870605 0.80 ADORA2A (0.58) ADORA2AALDH1A1HPGDMAPTALOX15
SCHEMBL6871320 0.80 SMN1; SMN2 (0.43) ADORA2ACAMK2DSMN1; SMN2BACE1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6821586-B2 CONTAINING TREATED INORGANIC PARTICLES OF ALUMINA COUPLED WITH SILANETRIOLS HAVING HYDROPHILIC AMMONIUM GROUPS IN POLYVINYL ALCOHOL BINDER EASTMAN KODAK COMPANY 2004-11-23 US disclosed
EP-1347974-B1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed
US-20030107637-A1 Ink jet recording element EASTMAN KODAK COMPANY 2003-06-12 US disclosed