SCHEMBL4632550

SCHEMBL4632550

O=C(O)Oc1cc2c(NC(=O)c3ccccc3F)n[nH]c2s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.46
NPC1 O15118 9/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
RXFP1 Q9HBX9 2/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4633594 0.85 FGFR1 (0.48) RAB9ANPC1HTT
SCHEMBL4632643 0.85 ADORA3 (0.47) RAB9ANPC1SMN1; SMN2RXFP1MEN1
SCHEMBL4631861 0.84 RAB9A (0.48) RAB9ANPC1SMN1; SMN2RXFP1MEN1
SCHEMBL4632650 0.82 HDAC6 (0.42) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2420086 0.81 NPC1 (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4631794 0.81 AURKA (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4633224 0.81 CA1 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3870804 0.81 NPC1 (0.45) RAB9ANPC1SMN1; SMN2RXFP1MEN1
SCHEMBL2416163 0.80 TP53 (0.43) RAB9ANPC1SMN1; SMN2RXFP1MEN1
SCHEMBL4633621 0.79 MAPK1 (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP claimed