SCHEMBL3851528

SCHEMBL3851528

O=S(=O)(Cl)c1ccc(-c2ncnc3ccc(Br)cc23)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 5/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 8/20 0.38
MAPT P10636 2/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
PRNP P04156 2/20 0.36
NPC1 O15118 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NCOA1 Q15788 2/20 0.36

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
SCHEMBL3845623 0.87 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL3847128 0.87 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL3849639 0.84 MAPT (0.42) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL3846909 0.84 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL3846413 0.83 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL13874127 0.83 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL3845271 0.81 TSHR (0.46) SMN1; SMN2LMNAALDH1A1KMT2AL3MBTL1
SCHEMBL3846597 0.80 TSHR (0.48) SMN1; SMN2LMNAALDH1A1KMT2AL3MBTL1
SCHEMBL3846602 0.79 HTT (0.44) SMN1; SMN2LMNAALDH1A1KDM4EMEN1
SCHEMBL3845858 0.79 HTT (0.50) SMN1; SMN2LMNAALDH1A1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed