SCHEMBL14041817

SCHEMBL14041817

COc1ccc(C2CSC(NC(=O)/C=C/c3ccccc3)=N2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.57
MMP2 P08253 5/20 0.57
MMP9 P14780 5/20 0.57
EGFR P00533 2/20 0.57
SMN1; SMN2 Q16637 5/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
TRPA1 O75762 1/20 0.49
TP53 P04637 2/20 0.46
ALDH1A1 P00352 1/20 0.45
HSPD1 P10809 1/20 0.45
TNFRSF1A P19438 1/20 0.45
MAOB P27338 1/20 0.45
HSPE1 P61604 1/20 0.45
CYP1B1 Q16678 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 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
SCHEMBL14042453 0.95 HDAC3 (0.51) MMP1MMP2MMP9EGFRSMN1; SMN2
SCHEMBL14041941 0.91 MMP1 (0.58) MMP1MMP2MMP9EGFRSMN1; SMN2
SCHEMBL14042109 0.88 SMN1; SMN2 (0.45) MMP1MMP2MMP9EGFRSMN1; SMN2
SCHEMBL14042090 0.87 CA12 (0.49) MMP1MMP2MMP9EGFRSMN1; SMN2
SCHEMBL14041966 0.86 NPC1 (0.47) MMP1MMP2MMP9SMN1; SMN2KMT2A
SCHEMBL14042091 0.86 SAE1 (0.48) MMP1MMP2MMP9SMN1; SMN2KMT2A
SCHEMBL14042123 0.85 CYP3A4 (0.45) MMP1MMP2MMP9EGFRSMN1; SMN2
SCHEMBL14042489 0.85 TAS1R3 (0.47) MMP1MMP2MMP9EGFRSMN1; SMN2
SCHEMBL14042128 0.85 TAS1R3 (0.43) MMP1MMP2MMP9SMN1; SMN2KMT2A
SCHEMBL14042089 0.85 KDM4E (0.48) MMP1MMP2MMP9EGFRSMN1; SMN2

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-2008124000-A2 THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2008-10-16 WO disclosed