SCHEMBL7255684

SCHEMBL7255684

Clc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
RAB9A P51151 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.59
TP53 P04637 1/20 0.53
LMNA P02545 2/20 0.50
ALOX15 P16050 2/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ADORA3 P0DMS8 2/20 0.49
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHEK1 O14757 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47

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
SCHEMBL7255703 0.79 CA12 (0.54) RAB9AL3MBTL1TP53ALOX15MEN1
SCHEMBL7259134 0.79 ALPL (0.54) POLBRAB9AL3MBTL1LMNAALOX15
SCHEMBL27604947 0.79 MAPT (0.54) RAB9ATP53LMNAALOX15MEN1
SCHEMBL528220 0.76 POLB (0.53) POLBRAB9AL3MBTL1TP53LMNA
SCHEMBL1230353 0.76 RAB9A (1.00) POLBRAB9AL3MBTL1TP53LMNA
SCHEMBL12472668 0.76 RAB9A (0.63) POLBRAB9AL3MBTL1TP53LMNA
SCHEMBL6231163 0.75 RAB9A (0.79) POLBRAB9ALMNAALOX15MEN1
SCHEMBL24566759 0.74 POLB (0.61) POLBRAB9AL3MBTL1TP53LMNA
SCHEMBL9277398 0.74 POLB (0.61) POLBRAB9AL3MBTL1TP53LMNA
SCHEMBL8795650 0.74 POLB (0.61) POLBRAB9AL3MBTL1TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003080616-A1 PYRAZOLOPYRIDAZINE DERIVATIVES, PROCESS FOR PREPARATION AND USE FOR THE INHIBITION OF GSK-3 GLAXO GROUP LIMITED (GB) 2003-10-02 WO claimed
EP-2712616-B1 Intermediates for the preparation of 1-(acetyl)-piperidine and 1-(acetyl)-piperazine derivatives as fungicides for use in plant protection DU PONT (US) 2017-04-19 EP disclosed