SCHEMBL7844489

SCHEMBL7844489

CSCc1ccc(C#CCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
MMP12 P39900 1/20 0.41
LMNA P02545 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39

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
SCHEMBL6446069 0.78 MMP2 (0.55) MMP2MMP12LMNAKDM4EGABRP
SCHEMBL80450 0.78 CYP2A6 (0.50) MMP2MMP12LMNAKDM4EGABRP
SCHEMBL1745148 0.76 MMP2 (0.43) MMP2MMP12LMNAKDM4EGABRP
SCHEMBL5209430 0.73 MAPT (0.44) LMNAKDM4EMAPTNPC1RAB9A
SCHEMBL728193 0.73 HTT (0.52) MMP2MMP12LMNAKDM4EGABRP
SCHEMBL13534963 0.72 PRSS1 (0.44) LMNAKDM4EMAPTNPC1RAB9A
SCHEMBL9672111 0.72 MMP2 (0.50) MMP2MMP12LMNAKDM4EGABRP
SCHEMBL19021213 0.72 FFAR1 (0.51) LMNAKDM4ESMN1; SMN2FFAR1FFAR4
SCHEMBL1145998 0.71 CYP2A6 (0.58) MAPTRAB9ASMN1; SMN2HTTL3MBTL1
SCHEMBL11216527 0.71 FFAR1 (0.49) MMP2MMP12LMNAKDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104418-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2001-06-06 EP disclosed
WO-2000009500-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-24 WO disclosed