SCHEMBL729000

SCHEMBL729000

CCC(C(=O)O)c1c2c(nn1-c1ccccc1)c(=O)[nH]c1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.41
ADORA1 P30542 4/20 0.39
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 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
SCHEMBL729439 0.86 ADORA3 (0.40) ADORA3ADORA1MEN1ALDH1A1HPGD
SCHEMBL728568 0.78 ADORA3 (0.47) ADORA3ADORA1MEN1ALDH1A1HPGD
SCHEMBL730469 0.76 ADORA3 (0.53) ADORA3ADORA1HPGD
SCHEMBL728854 0.76 ADORA3 (0.45) ADORA3ADORA1ALDH1A1
SCHEMBL726536 0.76 ALDH1A1 (0.47) ADORA3ADORA1MEN1ALDH1A1HPGD
SCHEMBL728613 0.76 ADORA3 (0.47) ADORA3ADORA1ALDH1A1
SCHEMBL5512657 0.75 CHEK1 (0.46) ADORA3MEN1ALDH1A1HPGDKMT2A
SCHEMBL729014 0.75 UTS2R (0.39) ADORA3ALDH1A1HPGDPOLB
SCHEMBL735233 0.74 KDM4E (0.51) ADORA3TP53ALDH1A1HPGD
SCHEMBL728571 0.74 KHK (0.38) ADORA3

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-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 US disclosed