SCHEMBL7977271

SCHEMBL7977271

CCCc1ccc(OCCc2c[nH]cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL7973104 0.89 MAPT (0.43) ALDH1A1LMNAL3MBTL1CYP3A4CYP1A2
SCHEMBL7991257 0.85 CYP3A4 (0.45) ALDH1A1LMNAL3MBTL1CYP3A4CYP1A2
SCHEMBL4394315 0.83 SMN1; SMN2 (0.50) ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL7971472 0.83 HRH3 (0.48) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL4386689 0.82 LMNA (0.45) ALDH1A1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL7972911 0.80 MAPK1 (0.42) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL4380966 0.78 NQO1 (0.45) ALDH1A1LMNACYP3A4CYP1A2CYP2D6
SCHEMBL8934837 0.78 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1CYP3A4KMT2A
SCHEMBL4381007 0.77 SMN1; SMN2 (0.52) L3MBTL1HRH3KMT2AMEN1NPC1
SCHEMBL7961162 0.77 TBXAS1 (0.44) ALDH1A1HRH3MMP2MAPT

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