SCHEMBL6679031

SCHEMBL6679031

COc1ccc(NC(N)=S)cc1CN(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 5/20 0.47
KDM4E B2RXH2 1/20 0.47
ACHE P22303 1/20 0.46
GAA P10253 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ALOX12 P18054 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
SCHEMBL1887021 0.81 MAPT (0.67) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6678263 0.81 PTGIR (0.49) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6679073 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTKDM4E
Hydrochloric Acid SCHEMBL7245284 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1ACHE
SCHEMBL1884692 0.76 KMT2A (0.53) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6678262 0.76 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1ACHESMN1; SMN2
SCHEMBL12235984 0.75 MAPT (0.51) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL31150253 0.75 KMT2A (0.51) ALDH1A1KMT2AMEN1MAPTKDM4E
Hydrochloric Acid SCHEMBL7245278 0.75 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1ACHESMN1; SMN2
SCHEMBL8680075 0.73 KMT2A (0.53) ALDH1A1KMT2AMEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed