SCHEMBL7770583

SCHEMBL7770583

COCCCc1[c]nccc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TLR7 Q9NYK1 1/20 0.31
DAO P14920 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CTSB P07858 1/20 0.30
KCNA5 P22460 1/20 0.30
TSHR P16473 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
SCHEMBL3525003 0.89 ADRA1A (0.33) KCNA5TSHR
SCHEMBL5683854 0.82
SCHEMBL695229 0.79 L3MBTL1 (0.39) ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5683250 0.78
SCHEMBL239455 0.78 TDP1 (0.46)
SCHEMBL1850398 0.77
SCHEMBL15419581 0.77 CYP2A6 (0.30)
SCHEMBL4584429 0.76 TDP1 (0.44) ALDH1A1HSD17B10
SCHEMBL4585040 0.76 TDP1 (0.44) ALDH1A1HSD17B10
SCHEMBL4585106 0.76 TDP1 (0.44) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248870-B1 OLIGO-2,6-PYRIMIDINE COMPLEXING AGENT. NYCOMED IMAGING AS (NO) 2001-06-19 US disclosed
WO-1999039748-A1 TARGETING IMMUNOREAGENTS USEFUL IN THERAPEUTIC AND DIAGNOSTIC COMPOSITIONS AND METHODS NYCOMED IMAGING AS (NO) 1999-08-12 WO disclosed
US-5817774-A Unsymmetrical complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods STERLING WINTHROP INCORPORATION (US) 1998-10-06 US disclosed
US-5760191-A Macrocyclic complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods NYCOMED IMAGING AS (NO) 1998-06-02 US disclosed
US-5559214-A Unsymmetrical complexing agents and targeting immunoreagents useful in thearpeutic and diagnostic compositions and methods STERLING WINTHROP INC. (US) 1996-09-24 US disclosed