SCHEMBL5548307

SCHEMBL5548307

Clc1cc([AsH2])ccc1OCc1cscn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.41
EPHA2 P29317 1/20 0.41
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41
EGFR P00533 1/20 0.40
NMT1 P30419 1/20 0.39
MRGPRX4 Q96LA9 8/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM5 P41594 1/20 0.37
S1PR4 O95977 3/20 0.37
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NOX1 Q9Y5S8 1/20 0.35
LMNA P02545 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
SCHEMBL2194043 0.82 SYK (0.46) FLT1EPHA2KDREPHB4EGFR
Hydrochloric Acid SCHEMBL2195908 0.81 SYK (0.45) FLT1EPHA2KDREPHB4EGFR
SCHEMBL27298989 0.79 FLT1 (0.41) FLT1EPHA2KDREPHB4EGFR
SCHEMBL6237515 0.77 MAPT (0.48) NPC1RAB9AMAPTKMT2AS1PR4
SCHEMBL23516857 0.73 MRGPRX4 (0.47) FLT1EPHA2KDREPHB4NMT1
SCHEMBL27192266 0.73 EGFR (0.40) FLT1EPHA2KDREPHB4EGFR
SCHEMBL9873609 0.71 FLT1 (0.38) FLT1EPHA2KDREPHB4EGFR
SCHEMBL31379484 0.71 GRM5 (0.45) FLT1EPHA2KDREPHB4NMT1
SCHEMBL6920659 0.70 NPC1 (0.60) MRGPRX4NPC1RAB9AMAPTKMT2A
SCHEMBL31379494 0.70 FLT1 (0.38) FLT1EPHA2KDREPHB4EGFR

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-1799653-A2 NOVEL HETEROCYCLES Bayer Pharmaceuticals Corporation (US) 2007-06-27 EP disclosed
WO-2006023843-A2 NOVEL HETEROCYCLES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-02 WO disclosed