SCHEMBL6599883

SCHEMBL6599883

Cc1cc(N)ccc1N1CCN(C(=O)O)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
ALDH1A1 P00352 6/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
GAA P10253 4/20 0.61
THRB P10828 3/20 0.61
NR4A1 P22736 1/20 0.61
PTK2B Q14289 1/20 0.61
GFER P55789 3/20 0.57
RAD52 P43351 2/20 0.57
HTT P42858 5/20 0.52
POLB P06746 1/20 0.52
AKR1C3 P42330 1/20 0.47
KDM4E B2RXH2 3/20 0.45
ALOX15 P16050 2/20 0.45
YWHAG P61981 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL27927159 0.89 MAPT (0.63) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL188894 0.88 MAPT (0.61) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL15358737 0.85 MAPT (0.81) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL17240307 0.84 KDM4E (0.50) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL31491403 0.84 KDM4E (0.50) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL9052600 0.84 HTT (0.71) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL6839630 0.84 MAPT (0.56) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL2533147 0.83 ALDH1A1 (0.60) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL21332689 0.82 MAPT (0.55) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL23160615 0.82 WDR5 (0.51) MAPTALDH1A1MEN1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103703005-A Tricyclic inhibitors of kinases ABBOTT LAB 2014-04-02 CN disclosed
EP-1265891-B1 NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES CONSEILS DE RECH SET D APPLIC (FR) 2004-12-29 EP disclosed
EP-1265891-A2 NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-12-18 EP disclosed
WO-2001068643-A2 NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-09-20 WO disclosed