SCHEMBL7971202

SCHEMBL7971202

COC(=O)c1ccc(OCCc2c[nH]cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
RAB9A P51151 3/20 0.55
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 4/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7974811 0.87 TDP1 (0.51) MAPTTDP1L3MBTL1CA1CA2
SCHEMBL7961178 0.86 HRH3 (0.58) MAPTL3MBTL1KDM4ESMN1; SMN2HRH3
SCHEMBL4381007 0.84 SMN1; SMN2 (0.52) MAPTRAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL7974440 0.81 GAA (0.56) MAPTL3MBTL1KDM4ESMN1; SMN2MAPK1
SCHEMBL7971472 0.81 HRH3 (0.48) MAPTRAB9ANPC1SMN1; SMN2MAPK1
Oxalic Acid SCHEMBL7988348 0.81 SMN1; SMN2 (0.49) MAPTRAB9AL3MBTL1NPC1SMN1; SMN2
Oxalic Acid SCHEMBL7987116 0.80 L3MBTL1 (0.49) L3MBTL1KDM4ENPC1SMN1; SMN2MEN1
SCHEMBL4376187 0.80 L3MBTL1 (0.59) MAPTL3MBTL1KDM4ESMN1; SMN2HRH3
SCHEMBL7991268 0.79 HRH3 (0.57) RAB9ANPC1HRH3
SCHEMBL7973104 0.79 MAPT (0.43) MAPTRAB9ATDP1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US claimed
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP claimed
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP claimed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO claimed
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US disclosed
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP disclosed
US-5559113-A ANTAGONISTS TO HISTAMINE H3 RECEPTORS, SEDATIVES, ANTICONVULSANTS, ANTIULCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE 1996-09-24 US disclosed
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP disclosed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO disclosed