SCHEMBL8265358

SCHEMBL8265358

Bc1cc(NC2CC2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
FPR2 P25090 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
TRPA1 O75762 2/20 0.35
P2RX7 Q99572 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APAF1 O14727 1/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8264452 0.77 TP53 (0.43) POLBFPR2PROKR1TRPA1P2RX7
SCHEMBL10184808 0.77 ABL1 (0.46) POLBFPR2PROKR1TRPA1P2RX7
SCHEMBL1566944 0.74 MAPT (0.57) POLBFPR2PROKR1TRPA1MEN1
SCHEMBL7790025 0.74 TRPA1 (0.47) POLBFPR2PROKR1TRPA1MEN1
SCHEMBL3517848 0.73 MAPT (0.59) POLBFPR2PROKR1TRPA1MEN1
SCHEMBL9008342 0.73 KMT2A (0.59) TRPA1MEN1KMT2AMAPTALDH1A1
SCHEMBL7784547 0.73 MAPT (0.59) POLBFPR2PROKR1TRPA1MEN1
SCHEMBL31453688 0.73 KMT2A (0.59) TRPA1MEN1KMT2AMAPTALDH1A1
SCHEMBL8263943 0.73 MAPK1 (0.48) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL89147 0.72 POLB (0.60) POLBP2RX7MEN1KMT2AMAPT

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
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO disclosed