SCHEMBL13628747

SCHEMBL13628747

Cc1ccc(-c2cnn[nH]2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
TDP1 Q9NUW8 2/20 0.37
POLB P06746 8/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
USP2 O75604 1/20 0.36
ATM Q13315 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34

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
SCHEMBL13628749 0.73 CA12 (0.37)
SCHEMBL12578009 0.68 TDP1 (0.67) MAPTTDP1KMT2AMEN1USP2
SCHEMBL17269680 0.68 PDE10A (0.43) MAPTTDP1POLBKMT2AMEN1
SCHEMBL21929982 0.66 TDP1 (0.62) MAPTTDP1KMT2AMEN1USP2
SCHEMBL11983826 0.66 TDP1 (0.62) MAPTTDP1KMT2AMEN1USP2
SCHEMBL10064162 0.66 TDP1 (0.62) MAPTTDP1KMT2AMEN1USP2
SCHEMBL13628728 0.66 NOTUM (0.31)
SCHEMBL4781959 0.65 ALDH1A1 (0.38) MAPTTDP1POLBKMT2AMEN1
SCHEMBL13411815 0.65 POLB (0.33) POLBKMT2AMEN1USP2SMN1; SMN2
SCHEMBL5020207 0.65 NPC1 (0.59) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612070-B2 Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-11-03 US disclosed
US-7612070-B2 Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-11-03 US disclosed