SCHEMBL3845271

SCHEMBL3845271

O=S(=O)(c1ccc(-c2ncnc3ccc(Br)cc23)s1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 3/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
GAA P10253 2/20 0.39
HTT P42858 7/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MAPT P10636 1/20 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
SCHEMBL3846597 0.99 TSHR (0.48) TSHRRECQLL3MBTL1SMN1; SMN2KMT2A
SCHEMBL3852440 0.90 MAPT (0.43) TSHRRECQLL3MBTL1SMN1; SMN2KMT2A
SCHEMBL3845858 0.90 HTT (0.50) TSHRRECQLSMN1; SMN2KMT2ATDP1
SCHEMBL3847128 0.81 SMN1; SMN2 (0.44) L3MBTL1SMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL3845623 0.81 SMN1; SMN2 (0.44) L3MBTL1SMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL3851528 0.81 SMN1; SMN2 (0.47) L3MBTL1SMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL13874127 0.80 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL3846909 0.78 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL3849639 0.78 MAPT (0.42) SMN1; SMN2KMT2AGAAHTTALDH1A1
SCHEMBL3846413 0.76 SMN1; SMN2 (0.42) TSHRL3MBTL1SMN1; SMN2KMT2AHTT

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