SCHEMBL7021346

SCHEMBL7021346

CN(C)C=C(C(=O)c1ccccc1)c1ncc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ RECQL P46063 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CES2 O00748 3/20 0.36
▸ CES1 P23141 3/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ EGFR P00533 1/20 0.35

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
SCHEMBL7021343 1.00 RAB9A (0.42) RAB9ANPC1LMNAKMT2ARECQL
SCHEMBL5094753 0.84 RAB9A (0.42) RAB9ANPC1LMNAALDH1A1TAAR1
SCHEMBL5094757 0.84 RAB9A (0.42) RAB9ANPC1LMNAALDH1A1TAAR1
SCHEMBL5098916 0.83 CYP11B1 (0.43) RAB9ANPC1ALDH1A1MAPTNPSR1
SCHEMBL5098910 0.83 CYP11B1 (0.43) RAB9ANPC1ALDH1A1MAPTNPSR1
SCHEMBL5216998 0.77 CES2 (0.50) RAB9ALMNAKMT2ARECQLALDH1A1
SCHEMBL5216994 0.77 CES2 (0.50) RAB9ALMNAKMT2ARECQLALDH1A1
SCHEMBL5100945 0.76 POLB (0.49) RAB9ANPC1LMNAKMT2AALDH1A1
SCHEMBL5099177 0.76 POLB (0.49) RAB9ANPC1LMNAKMT2AALDH1A1
SCHEMBL5099175 0.76 POLB (0.49) RAB9ANPC1LMNAKMT2AALDH1A1

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
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 — — EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 — — WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 — — EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 — — WO disclosed
Send feedback