SCHEMBL3818231

SCHEMBL3818231

NC(=O)CNc1ccncc1-c1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
CYP19A1 P11511 2/20 0.49
NPC1 O15118 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
IDH1 O75874 1/20 0.44
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
ESR1 P03372 1/20 0.42
SREBF2 Q12772 1/20 0.42
PLAU P00749 3/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
ABL1 P00519 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL3813712 0.74 KDM4E (0.69) KDM4ERAB9ASMN1; SMN2LMNACYP19A1
SCHEMBL3815644 0.74 RAB9A (0.54) KDM4ERAB9ASMN1; SMN2LMNACYP19A1
SCHEMBL6646406 0.74 KDM4E (0.61) KDM4ERAB9ASMN1; SMN2LMNACYP19A1
SCHEMBL3814593 0.72 KDM4E (0.66) KDM4ERAB9ASMN1; SMN2LMNACYP19A1
SCHEMBL3823501 0.72 RAB9A (0.54) KDM4ERAB9ASMN1; SMN2LMNACYP19A1
SCHEMBL6647164 0.71 KDM4E (0.59) KDM4ERAB9ASMN1; SMN2LMNACYP19A1
SCHEMBL6648866 0.70 KDM4E (0.56) KDM4ERAB9ASMN1; SMN2LMNACYP19A1
SCHEMBL3824243 0.70 KDM4E (0.58) KDM4ERAB9ASMN1; SMN2LMNACYP19A1
SCHEMBL4283884 0.70 KDM4E (1.00) KDM4ERAB9ASMN1; SMN2LMNACYP19A1
SCHEMBL6786537 0.69 KDM4E (0.61) KDM4ERAB9ASMN1; SMN2LMNACYP19A1

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
EP-1348706-B1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-08-19 EP claimed
EP-1348706-B1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-08-19 EP disclosed