SCHEMBL14237642

SCHEMBL14237642

O=c1ccn(-c2cccc(S(=O)(=O)N3CCCCC3)c2)nc1-c1ccnn1-c1ccnc2c(Cl)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.48
COMT P21964 1/20 0.37
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 1/20 0.35
ESR1 P03372 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 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
SCHEMBL2750134 0.88 PDE10A (0.53) PDE10AALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2751557 0.88 PDE10A (0.51) PDE10AALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2749888 0.88 PDE10A (0.53) PDE10AALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2749776 0.87 PDE10A (0.51) PDE10AALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14237640 0.87 PDE10A (0.49) PDE10AALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2496050 0.86 PDE10A (0.56) PDE10AALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL2750931 0.85 PDE10A (0.56) PDE10AALDH1A1SMN1; SMN2KMT2ANPSR1
SCHEMBL2504022 0.82 PDE10A (0.58) PDE10AALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL2499998 0.82 PDE10A (0.45) PDE10AALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2503796 0.81 PDE10A (0.59) PDE10AALDH1A1SMN1; SMN2KMT2AKDM4E

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-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP claimed