SCHEMBL3847047

SCHEMBL3847047

O=C1CC[C@@H](c2nc3ccc(I)cc3s2)O1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.36
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL3851706 0.84 SMN1; SMN2 (0.43) APPMAPTMEN1KMT2A
SCHEMBL8304295 0.84 SMN1; SMN2 (0.43) APPMAPTMEN1KMT2A
SCHEMBL8304507 0.81 KMT2A (0.49) MEN1KMT2A
SCHEMBL8308552 0.80 ALDH1A1 (0.50) MAPTMEN1KMT2A
SCHEMBL8303658 0.71 GRM2 (0.37)
SCHEMBL7956092 0.70 MEN1 (0.64) APPMAPTMEN1KMT2A
SCHEMBL369617 0.65 KMT2A (0.51) APPMAPTMEN1KMT2A
SCHEMBL16264444 0.63 APP (0.49) APPMAPTMEN1KMT2A
SCHEMBL1094500 0.62 APP (0.47) APPMAPTMEN1KMT2APARP1
SCHEMBL4830279 0.62 RAB9A (0.61) MAPTKMT2A

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 5 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-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