SCHEMBL3845858

SCHEMBL3845858

CN1CCN(S(=O)(=O)c2ccc(-c3ncnc4ccc(Br)cc34)s2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
EGFR P00533 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL3845271 0.90 TSHR (0.46) HTTMAPTKMT2APOLBSMN1; SMN2
SCHEMBL3846597 0.89 TSHR (0.48) HTTMAPTKMT2APOLBSMN1; SMN2
SCHEMBL3852440 0.88 MAPT (0.43) HTTMAPTKMT2AMEN1POLB
SCHEMBL3845623 0.81 SMN1; SMN2 (0.44) HTTMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3851528 0.79 SMN1; SMN2 (0.47) HTTMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3847128 0.79 SMN1; SMN2 (0.44) HTTMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3846909 0.78 SMN1; SMN2 (0.41) HTTMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3849639 0.78 MAPT (0.42) HTTMAPTKMT2AMEN1POLB
SCHEMBL13874127 0.77 SMN1; SMN2 (0.41) HTTMAPTKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL3855203 0.76 KMT2A (0.39) HTTMAPTKMT2AMEN1SMN1; 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 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