SCHEMBL8183001

SCHEMBL8183001

COc1ccc(O)c(/C=C2\SC(=O)NC2=S)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 12/20 0.70
▸ GSK3B P49841 1/20 0.62
▸ TDP2 O95551 1/20 0.60
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ RECQL P46063 1/20 0.53
▸ PNP P00491 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ERN1 O75460 1/20 0.49
▸ CA2 P00918 1/20 0.48

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
SCHEMBL8183002 1.00 TDP1 (0.70) TDP1GSK3BTDP2MEN1KMT2A
SCHEMBL14860977 0.82 TDP1 (1.00) TDP1TDP2MAPTRECQLPNP
SCHEMBL14860975 0.82 TDP1 (1.00) TDP1TDP2MAPTRECQLPNP
SCHEMBL14860979 0.82 TDP1 (1.00) TDP1TDP2MAPTRECQLPNP
SCHEMBL19659989 0.82 CA2 (0.71) GSK3BMEN1KMT2AALDH1A1MAPT
SCHEMBL19999122 0.82 CA2 (0.71) GSK3BMEN1KMT2AALDH1A1MAPT
SCHEMBL2684658 0.79 RAB9A (0.74) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL4568730 0.79 RAB9A (0.74) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL2684656 0.79 RAB9A (0.74) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL8186860 0.78 MEN1 (0.68) TDP1MEN1KMT2AALDH1A1LMNA

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-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 — — WO disclosed
Send feedback