SCHEMBL7971191

SCHEMBL7971191

c1ccc(SCCc2c[nH]cn2)nc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
EHMT2 Q96KQ7 1/20 0.41
EHMT1 Q9H9B1 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 2/20 0.38
PKM P14618 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HPGD P15428 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
SCHEMBL10947781 0.85 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTEHMT2EHMT1
SCHEMBL13636333 0.80 ALDH1A1 (0.47) ALDH1A1KMT2ANPC1RAB9ALMNA
SCHEMBL9865982 0.79 NPC1 (0.44) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL9866653 0.79 NPC1 (0.39) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL3182706 0.73 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTEHMT2EHMT1
SCHEMBL7208033 0.71 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTEHMT2EHMT1
Dipyridyl SCHEMBL5446150 0.71 HRH1 (0.53) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL28061468 0.71 CYP2C19 (0.51) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL7961024 0.71 FDPS (0.42)
SCHEMBL2391915 0.70 CYP1A2 (0.66) ALDH1A1NPC1RAB9ALMNAHPGD

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
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-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