SCHEMBL7287572

SCHEMBL7287572

O=C1CC2CCSc3ccccc3C2=NN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
HTR7 P34969 2/20 0.35

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
SCHEMBL7288071 0.85 KMT2A (0.43) LMNASMN1; SMN2GAANPSR1MEN1
SCHEMBL7294604 0.85 PDE4A (0.39) SMN1; SMN2GAANPSR1MEN1KMT2A
SCHEMBL7291459 0.82 CNR2 (0.36) SMN1; SMN2MAPTTP53TSHR
SCHEMBL7289645 0.81 GAA (0.35) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL7292065 0.80 HTT (0.37) SMN1; SMN2GAAHTTMEN1KMT2A
SCHEMBL10558483 0.79 GLA (0.41) LMNASMN1; SMN2GAAHTTMEN1
SCHEMBL7286210 0.79 GABRP (0.41) LMNASMN1; SMN2HTTNPSR1MEN1
SCHEMBL10569584 0.79 KDM4E (0.38) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL7289330 0.79 MIF (0.34) KDM4E
SCHEMBL7287387 0.79 GAA (0.34) SMN1; SMN2GAAMEN1KMT2AALDH1A1

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-4849421-A SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-07-18 US disclosed
EP-0281045-A1 Benzothiepino (5,4-c) pyridazine compounds and their pharmaceutical uses Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-09-07 EP disclosed