SCHEMBL4787448

SCHEMBL4787448

CCOC(=O)c1cccn1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
GABRA2 P47869 5/20 0.52
GABRB2 P47870 5/20 0.52
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.49
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
ALOX12 P18054 1/20 0.48
PDE4D Q08499 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL28929654 0.82 LMNA (0.43) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL4321608 0.82 MAPT (0.58) MAPTALDH1A1NPC1LMNASMN1; SMN2
SCHEMBL19284321 0.81 NR4A2 (0.50) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL31454215 0.78 ALDH1A1 (0.56) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL28789909 0.78 NPC1 (0.43) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL1541405 0.77 GABRB2 (0.60) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL2883370 0.76 NOTUM (0.66) MAPTALDH1A1GAAGABRA2GABRB2
SCHEMBL2399420 0.76 NPC1 (0.57) MAPTALDH1A1NPC1RAB9ATSHR
SCHEMBL8443848 0.75 SCN3A (0.49) ALDH1A1GAALMNAKDM4E
SCHEMBL15848888 0.75 EPHX2 (0.57) MAPTALDH1A1LMNATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO disclosed