SCHEMBL9504490

SCHEMBL9504490

C=CCN(CC=C)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
ALDH1A1 P00352 4/20 0.57
TSHR P16473 3/20 0.54
NPSR1 Q6W5P4 3/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 2/20 0.49
RAB9A P51151 4/20 0.49
PKM P14618 1/20 0.49
NPC1 O15118 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL11332943 0.91 MAPT (0.54) MAPTALDH1A1TSHRNPSR1HTT
SCHEMBL2450680 0.83 CYP1A2 (0.65) MAPTALDH1A1TSHRNPSR1LMNA
SCHEMBL4935717 0.83 APEX1 (0.58) MAPTALDH1A1HTTLMNAGAA
SCHEMBL20887467 0.81 ALDH1A1 (0.55) MAPTALDH1A1TSHRHTTLMNA
SCHEMBL11667146 0.80 MAPT (0.58) MAPTALDH1A1HTTLMNARAB9A
SCHEMBL4938466 0.78 ALDH1A1 (0.70) MAPTALDH1A1NPSR1GAACYP1A2
SCHEMBL4933165 0.78 ALDH1A1 (0.66) MAPTALDH1A1NPSR1HTTLMNA
SCHEMBL9435704 0.77 GAA (0.68) MAPTALDH1A1TSHRNPSR1HTT
SCHEMBL4940323 0.76 MAPT (0.58) MAPTALDH1A1TSHRNPSR1LMNA
SCHEMBL11329241 0.76 MAPT (0.57) MAPTALDH1A1NPSR1LMNARAB9A

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
EP-0550142-A1 Biocide composition and use ZENECA LIMITED (GB) 1993-07-07 EP disclosed