SCHEMBL4353767

SCHEMBL4353767

O=S(=O)(NCCN1CCOCC1)c1cc[c]cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.66
ALDH1A1 P00352 1/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 2/20 0.60
EPHX2 P34913 1/20 0.55
SIGMAR1 Q99720 4/20 0.52
POLB P06746 1/20 0.52
NEK1 Q96PY6 1/20 0.52

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
SCHEMBL3327273 0.92 KMT2A (0.72) PKMALDH1A1MAPK1KMT2APOLB
SCHEMBL6291993 0.87 SIGMAR1 (0.68) PKMMAPK1KMT2ASIGMAR1NEK1
SCHEMBL6291901 0.85 SIGMAR1 (0.69) PKMMAPK1KMT2ASIGMAR1NEK1
SCHEMBL3719058 0.85 PKM (0.69) PKMALDH1A1MAPK1KMT2AEPHX2
SCHEMBL6291984 0.83 SIGMAR1 (0.52) PKMALDH1A1MAPK1SIGMAR1
SCHEMBL19563407 0.83 SIGMAR1 (0.76) PKMALDH1A1MAPK1KMT2AEPHX2
SCHEMBL31356929 0.83 ALDH1A1 (0.74) PKMALDH1A1MAPK1KMT2AEPHX2
SCHEMBL78149 0.83 PKM (0.70) PKMALDH1A1MAPK1KMT2AEPHX2
SCHEMBL12302133 0.83 ALDH1A1 (0.74) PKMALDH1A1MAPK1KMT2AEPHX2
SCHEMBL3331192 0.83 PKM (0.70) PKMALDH1A1MAPK1KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2885304-B1 PYRROLOPYRAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2016-09-21 EP disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
US-6855719-B1 Imidazo[1,2-A]pyridine and pyrazolo[2,3-A]pyridine derivatives ASTRAZENECA AB (SE) 2005-02-15 US disclosed
CN-1174981-C Imidazo [1, 2-A ] pyridine and pyrazolo [2, 3-A ] pyridine derivatives 2004-11-10 CN disclosed
EP-1214318-B1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-08 EP disclosed
CN-1370163-A Imidazo [1,2-A] pyridine and pyrazolo [2,3-a] pyridine derivatives ASTRAZENECA AB (SE) 2002-09-18 CN disclosed
EP-1214318-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES AstraZeneca AB (SE) 2002-06-19 EP disclosed
WO-2001014375-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-01 WO disclosed