SCHEMBL1704281

SCHEMBL1704281

[NH]C(=O)NCc1cccnc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.75
MAPT P10636 1/20 0.64
ALDH1A1 P00352 1/20 0.64
FES P07332 1/20 0.62
RET P07949 1/20 0.62
MARK3 P27448 1/20 0.62
TYK2 P29597 1/20 0.62
FLT4 P35916 1/20 0.62
SYK P43405 1/20 0.62
CLK2 P49760 1/20 0.62
CLK4 Q9HAZ1 1/20 0.62
USP2 O75604 2/20 0.60
KMT2A Q03164 2/20 0.60
CYP1A2 P05177 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
PKM P14618 1/20 0.60
LMNA P02545 2/20 0.60

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
SCHEMBL29550751 0.86 RECQL (1.00) RECQLMAPTALDH1A1FESRET
SCHEMBL163993 0.86 RECQL (1.00) RECQLMAPTALDH1A1FESRET
SCHEMBL29460250 0.85 FES (0.81) RECQLMAPTALDH1A1FESRET
SCHEMBL9130703 0.85 FES (0.81) RECQLMAPTALDH1A1FESRET
SCHEMBL10403403 0.84 RECQL (0.72) RECQLMAPTALDH1A1FESRET
SCHEMBL2424556 0.84 RECQL (0.72) RECQLMAPTALDH1A1FESRET
SCHEMBL427121 0.82 RECQL (0.70) RECQLMAPTALDH1A1FESRET
Hydrochloric Acid SCHEMBL7603200 0.82 RECQL (0.70) RECQLMAPTALDH1A1FESRET
SCHEMBL11355235 0.82 RECQL (0.70) RECQLMAPTALDH1A1FESRET
SCHEMBL45843 0.82 RECQL (0.70) RECQLMAPTALDH1A1FESRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440527-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE Topo Target A/S (DK) 2012-04-18 EP disclosed
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP disclosed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed