SCHEMBL7092955

SCHEMBL7092955

CCOC(=O)c1cnc(C)cn1.CCOC(=O)c1cnc(CBr)cn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 4/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1644358 0.94 POLB (0.46) POLBLMNAL3MBTL1ALDH1A1RXFP1
SCHEMBL1644521 0.87 POLB (0.70) POLBLMNAL3MBTL1ALDH1A1RXFP1
SCHEMBL27594663 0.82 LMNA (0.44) POLBLMNAL3MBTL1ALDH1A1RXFP1
SCHEMBL1019601 0.80 CYP1A2 (0.59) POLBLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL13635198 0.78 POLB (0.46) POLBLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL30445565 0.78 POLB (0.46) POLBLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL2960339 0.78 POLB (0.50) POLBLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL12184767 0.78 POLB (0.46) POLBLMNAL3MBTL1ALDH1A1KMT2A
SCHEMBL31390501 0.78 MAPK1 (0.47) POLBLMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL480161 0.78 MAPK1 (0.47) POLBLMNAL3MBTL1ALDH1A1MAPK1

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-2003076440-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS CALCITONIN AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 WO disclosed