SCHEMBL2908962

SCHEMBL2908962

O=C(Nc1ccc(Cl)cc1)c1cccnc1SCc1cccc2cccnc12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.67
NPC1 O15118 3/20 0.52
CASP3 P42574 1/20 0.52
RAB9A P51151 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
TSHR P16473 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
EGLN1 Q9GZT9 3/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2916924 0.90 KDR (0.53) KDRNPC1CASP3RAB9ASENP8
SCHEMBL2916686 0.84 NPC1 (0.54) KDRNPC1CASP3RAB9ASENP8
SCHEMBL4018015 0.81 KDR (0.76) KDRNPC1RAB9ATSHRKMT2A
SCHEMBL4016597 0.80 KDR (1.00) KDRNPC1TSHRKMT2AL3MBTL1
SCHEMBL1496366 0.80 KDR (0.66) KDRNPC1TSHRKMT2AMEN1
SCHEMBL1496298 0.79 KDR (0.70) KDRNPC1RAB9ATSHRKMT2A
SCHEMBL1786747 0.78 KDR (0.66) KDRNPC1RAB9ATSHRKMT2A
SCHEMBL4017151 0.77 KDR (0.78) KDRNPC1RAB9ATSHRKMT2A
SCHEMBL1785017 0.77 KDR (0.74) KDRNPC1RAB9ATSHRKMT2A
SCHEMBL4022007 0.77 KDR (0.78) KDRNPC1TSHRKMT2AMEN1

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-1854787-B1 NOVEL CYCLIC COMPOUND HAVING QUINOLYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2010-09-01 EP claimed